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
1
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 185.5
[M+Na]+ 356.94137 185.3
[M+NH4]+ 351.98597 184.4
[M+K]+ 372.91531 183.2
[M-H]- 332.94487 178.7
[M+Na-2H]- 354.92682 182.4
[M]+ 333.95160 183.4
[M]- 333.95270 183.4
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