CID 139596360

1-chloro-perfluoro-1-propanesulfonic acid

Structural Information

Molecular Formula
C3HClF6O3S
SMILES
C(C(F)(F)F)(C(F)(S(=O)(=O)O)Cl)(F)F
InChI
InChI=1S/C3HClF6O3S/c4-2(7,14(11,12)13)1(5,6)3(8,9)10/h(H,11,12,13)
InChIKey
OBBBWCLLTYQFFZ-UHFFFAOYSA-N
Compound name
1-chloro-1,2,2,3,3,3-hexafluoropropane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

265.92392 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.93120 136.1
[M+Na]+ 288.91314 146.2
[M-H]- 264.91664 128.6
[M+NH4]+ 283.95774 152.8
[M+K]+ 304.88708 142.3
[M+H-H2O]+ 248.92118 128.9
[M+HCOO]- 310.92212 138.4
[M+CH3COO]- 324.93777 185.7
[M+Na-2H]- 286.89859 141.2
[M]+ 265.92337 131.0
[M]- 265.92447 131.0
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.