CID 139596859

7h-perfluorooctanesulfonic acid

Structural Information

Molecular Formula
C8H2F16O3S
SMILES
C(C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C8H2F16O3S/c9-1(3(12,13)14)2(10,11)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)28(25,26)27/h1H,(H,25,26,27)
InChIKey
QXRYLKKFDKSCMD-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,8,8,8-hexadecafluorooctane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

481.94693 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.95421 162.5
[M+Na]+ 504.93615 166.5
[M-H]- 480.93965 168.8
[M+NH4]+ 499.98075 171.5
[M+K]+ 520.91009 174.0
[M+H-H2O]+ 464.94419 152.0
[M+HCOO]- 526.94513 180.9
[M+CH3COO]- 540.96078 228.1
[M+Na-2H]- 502.92160 161.3
[M]+ 481.94638 163.0
[M]- 481.94748 163.0
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

patents stripe