PubChemLite - 752232-72-7 (C10HF22NO4S2)

Structural Information

Molecular Formula

SMILES

C(C(C(F)(F)F)(F)F)(C(C(F)(F)S(=O)(=O)NS(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C10HF22NO4S2/c11-1(12,3(15,16)7(23,24)25)5(19,20)9(29,30)38(34,35)33-39(36,37)10(31,32)6(21,22)2(13,14)4(17,18)8(26,27)28/h33H

InChIKey

QMKWKVGHCDCISQ-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)pentane-1-sulfonamide

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]+	681.90688	189.5
[M+Na]+	703.88882	191.5
[M-H]-	679.89232	200.6
[M+NH4]+	698.93342	201.5
[M+K]+	719.86276	203.9
[M+H-H2O]+	663.89686	175.5
[M+HCOO]-	725.89780	208.0
[M+CH3COO]-	739.91345	254.5
[M+Na-2H]-	701.87427	189.5
[M]+	680.89905	191.7
[M]-	680.90015	191.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

681.90688

189.5

[M+Na]+

703.88882

191.5

[M-H]-

679.89232

200.6

[M+NH4]+

698.93342

201.5

[M+K]+

719.86276

203.9

[M+H-H2O]+

663.89686

175.5

[M+HCOO]-

725.89780

208.0

[M+CH3COO]-

739.91345

254.5

[M+Na-2H]-

701.87427

189.5

[M]+

680.89905

191.7

[M]-

680.90015

191.7

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

752232-72-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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