PubChemLite - Perfluorobutanesulfonic acid (C4HF9O3S)

Structural Information

Molecular Formula

C₄HF₉O₃S

SMILES

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

InChI

InChI=1S/C4HF9O3S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H,14,15,16)

InChIKey

JGTNAGYHADQMCM-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid

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]+	300.95754	145.6
[M+Na]+	322.93948	154.9
[M-H]-	298.94298	134.1
[M+NH4]+	317.98408	159.4
[M+K]+	338.91342	152.2
[M+H-H2O]+	282.94752	135.0
[M+HCOO]-	344.94846	147.2
[M+CH3COO]-	358.96411	194.7
[M+Na-2H]-	320.92493	149.9
[M]+	299.94971	134.0
[M]-	299.95081	134.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

300.95754

145.6

[M+Na]+

322.93948

154.9

[M-H]-

298.94298

134.1

[M+NH4]+

317.98408

159.4

[M+K]+

338.91342

152.2

[M+H-H2O]+

282.94752

135.0

[M+HCOO]-

344.94846

147.2

[M+CH3COO]-

358.96411

194.7

[M+Na-2H]-

320.92493

149.9

[M]+

299.94971

134.0

[M]-

299.95081

134.0

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

Perfluorobutanesulfonic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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