CID 22186453

Perfluoropentane-1-sulfinic acid

Structural Information

Molecular Formula
C5HF11O2S
SMILES
C(C(C(F)(F)F)(F)F)(C(C(F)(F)S(=O)O)(F)F)(F)F
InChI
InChI=1S/C5HF11O2S/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)19(17)18/h(H,17,18)
InChIKey
VWOZJJGGBQGKFY-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

333.95215 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.95943 151.9
[M+Na]+ 356.94137 160.5
[M-H]- 332.94487 138.1
[M+NH4]+ 351.98597 164.1
[M+K]+ 372.91531 157.4
[M+H-H2O]+ 316.94941 139.5
[M+HCOO]- 378.95035 150.0
[M+CH3COO]- 392.96600 203.2
[M+Na-2H]- 354.92682 153.4
[M]+ 333.95160 136.5
[M]- 333.95270 136.5
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