CID 139597747

4h-perfluoropentanesulfonic acid

Structural Information

Molecular Formula
C5H2F10O3S
SMILES
C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C5H2F10O3S/c6-1(3(9,10)11)2(7,8)4(12,13)5(14,15)19(16,17)18/h1H,(H,16,17,18)
InChIKey
WUNJQIWWSVJSNK-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,5,5,5-decafluoropentane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

331.95648 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.96376 151.2
[M+Na]+ 354.94570 159.9
[M-H]- 330.94920 138.5
[M+NH4]+ 349.99030 163.6
[M+K]+ 370.91964 157.1
[M+H-H2O]+ 314.95374 139.7
[M+HCOO]- 376.95468 150.6
[M+CH3COO]- 390.97033 201.2
[M+Na-2H]- 352.93115 153.7
[M]+ 331.95593 138.0
[M]- 331.95703 138.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.