67939-94-0 (C33H27F45N3O10PS3)

Structural Information

Molecular Formula

SMILES

CCN(CCOP(=O)(OCCN(CC)S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCCN(CC)S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C33H27F45N3O10PS3/c1-4-79(93(83,84)31(73,74)25(58,59)19(46,47)13(34,35)16(40,41)22(52,53)28(64,65)66)7-10-89-92(82,90-11-8-80(5-2)94(85,86)32(75,76)26(60,61)20(48,49)14(36,37)17(42,43)23(54,55)29(67,68)69)91-12-9-81(6-3)95(87,88)33(77,78)27(62,63)21(50,51)15(38,39)18(44,45)24(56,57)30(70,71)72/h4-12H2,1-3H3

InChIKey

DPBVCOWHHLIHJN-UHFFFAOYSA-N

Compound name

tris[2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]ethyl] phosphate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	1607.995076	351.5
[M+Na]+	1629.977018	350.9
[M-H]-	1605.980524	365.4
[M+NH4]+	1625.021623	362.1
[M+K]+	1645.950958	362.2
[M+H-H2O]+	1589.985060	340.9
[M+HCOO]-	1651.986001	354.8
[M+CH3COO]-	1666.001651	281.5
[M+Na-2H]-	1627.962466	348.7
[M]+	1606.98725142	346.9
[M]-	1606.98834858	346.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1607.995076

351.5

[M+Na]+

1629.977018

350.9

[M-H]-

1605.980524

365.4

[M+NH4]+

1625.021623

362.1

[M+K]+

1645.950958

362.2

[M+H-H2O]+

1589.985060

340.9

[M+HCOO]-

1651.986001

354.8

[M+CH3COO]-

1666.001651

281.5

[M+Na-2H]-

1627.962466

348.7

[M]+

1606.98725142

346.9

[M]-

1606.98834858

346.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

67939-94-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe