CID 165933089

3,3,4,4-tetrafluoropentane-1-sulfonyl chloride

Structural Information

Molecular Formula
C5H7ClF4O2S
SMILES
CC(C(CCS(=O)(=O)Cl)(F)F)(F)F
InChI
InChI=1S/C5H7ClF4O2S/c1-4(7,8)5(9,10)2-3-13(6,11)12/h2-3H2,1H3
InChIKey
MTHLJWHKUDJSDV-UHFFFAOYSA-N
Compound name
3,3,4,4-tetrafluoropentane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.97914 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.98642 138.3
[M+Na]+ 264.96836 148.0
[M-H]- 240.97186 134.3
[M+NH4]+ 260.01296 157.1
[M+K]+ 280.94230 144.3
[M+H-H2O]+ 224.97640 132.1
[M+HCOO]- 286.97734 144.7
[M+CH3COO]- 300.99299 186.5
[M+Na-2H]- 262.95381 142.5
[M]+ 241.97859 137.9
[M]- 241.97969 137.9
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.