CID 71758125

2,2,3,3,3-pentafluoropropane-1-sulfonyl chloride

Structural Information

Molecular Formula
C3H2ClF5O2S
SMILES
C(C(C(F)(F)F)(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C3H2ClF5O2S/c4-12(10,11)1-2(5,6)3(7,8)9/h1H2
InChIKey
NPSRGYNPIJYHGU-UHFFFAOYSA-N
Compound name
2,2,3,3,3-pentafluoropropane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

231.93842 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.94570 131.2
[M+Na]+ 254.92764 141.8
[M-H]- 230.93114 126.2
[M+NH4]+ 249.97224 150.3
[M+K]+ 270.90158 138.2
[M+H-H2O]+ 214.93568 124.4
[M+HCOO]- 276.93662 137.2
[M+CH3COO]- 290.95227 182.8
[M+Na-2H]- 252.91309 135.8
[M]+ 231.93787 128.7
[M]- 231.93897 128.7
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