CID 139597043

6h-perfluoroheptanesulfonic acid

Structural Information

Molecular Formula
C7H2F14O3S
SMILES
C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C7H2F14O3S/c8-1(3(11,12)13)2(9,10)4(14,15)5(16,17)6(18,19)7(20,21)25(22,23)24/h1H,(H,22,23,24)
InChIKey
SDHHTNKPXBIUHM-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoroheptane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.9501 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.95738 176.0
[M+Na]+ 454.93932 175.8
[M+NH4]+ 449.98392 175.2
[M+K]+ 470.91326 175.0
[M-H]- 430.94282 172.3
[M+Na-2H]- 452.92477 174.6
[M]+ 431.94955 174.8
[M]- 431.95065 174.8
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.