PubChemLite - 2965-52-8 (C24H19F34N2O8PS2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C24H19F34N2O8PS2/c1-3-59(70(63,64)23(55,56)19(45,46)15(37,38)11(29,30)9(25,26)13(33,34)17(41,42)21(49,50)51)5-7-67-69(61,62)68-8-6-60(4-2)71(65,66)24(57,58)20(47,48)16(39,40)12(31,32)10(27,28)14(35,36)18(43,44)22(52,53)54/h3-8H2,1-2H3,(H,61,62)

InChIKey

BZZAKKWGRKFWJJ-UHFFFAOYSA-N

Compound name

bis[2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]ethyl] hydrogen 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]+	1204.9851	292.7
[M+Na]+	1226.9670	292.1
[M-H]-	1202.9705	309.2
[M+NH4]+	1222.0116	307.7
[M+K]+	1242.9410	308.0
[M+H-H2O]+	1186.9751	276.0
[M+HCOO]-	1248.9760	300.8
[M+CH3COO]-	1262.9917	289.3
[M+Na-2H]-	1224.9525	289.8
[M]+	1203.9773	293.8
[M]-	1203.9783	293.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1204.9851

292.7

[M+Na]+

1226.9670

292.1

[M-H]-

1202.9705

309.2

[M+NH4]+

1222.0116

307.7

[M+K]+

1242.9410

308.0

[M+H-H2O]+

1186.9751

276.0

[M+HCOO]-

1248.9760

300.8

[M+CH3COO]-

1262.9917

289.3

[M+Na-2H]-

1224.9525

289.8

[M]+

1203.9773

293.8

[M]-

1203.9783

293.8

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

2965-52-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe