PubChemLite - 67939-93-9 (C22H19F30N2O8PS2)

Structural Information

Molecular Formula

SMILES

CCN(CCOP(=O)(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)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/C22H19F30N2O8PS2/c1-3-53(64(57,58)21(49,50)17(39,40)13(31,32)9(23,24)11(27,28)15(35,36)19(43,44)45)5-7-61-63(55,56)62-8-6-54(4-2)65(59,60)22(51,52)18(41,42)14(33,34)10(25,26)12(29,30)16(37,38)20(46,47)48/h3-8H2,1-2H3,(H,55,56)

InChIKey

YCAARETZDBIMDL-UHFFFAOYSA-N

Compound name

bis[2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)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]+	1104.9914	277.6
[M+Na]+	1126.9733	277.3
[M-H]-	1102.9768	294.6
[M+NH4]+	1122.0179	294.0
[M+K]+	1142.9473	293.6
[M+H-H2O]+	1086.9814	259.5
[M+HCOO]-	1148.9823	287.0
[M+CH3COO]-	1162.9980	290.0
[M+Na-2H]-	1124.9588	273.9
[M]+	1103.9836	280.4
[M]-	1103.9846	280.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1104.9914

277.6

[M+Na]+

1126.9733

277.3

[M-H]-

1102.9768

294.6

[M+NH4]+

1122.0179

294.0

[M+K]+

1142.9473

293.6

[M+H-H2O]+

1086.9814

259.5

[M+HCOO]-

1148.9823

287.0

[M+CH3COO]-

1162.9980

290.0

[M+Na-2H]-

1124.9588

273.9

[M]+

1103.9836

280.4

[M]-

1103.9846

280.4

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

67939-93-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe