CID 138040584

[1-(2,2-difluoroethyl)cyclobutyl]methanesulfonyl chloride

Structural Information

Molecular Formula
C7H11ClF2O2S
SMILES
C1CC(C1)(CC(F)F)CS(=O)(=O)Cl
InChI
InChI=1S/C7H11ClF2O2S/c8-13(11,12)5-7(2-1-3-7)4-6(9)10/h6H,1-5H2
InChIKey
PVXKOJCTJUHJIC-UHFFFAOYSA-N
Compound name
[1-(2,2-difluoroethyl)cyclobutyl]methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.01364 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.020916 137.0
[M+Na]+ 255.002858 143.5
[M-H]- 231.006364 137.9
[M+NH4]+ 250.047463 151.4
[M+K]+ 270.976798 142.9
[M+H-H2O]+ 215.010900 127.3
[M+HCOO]- 277.011841 145.4
[M+CH3COO]- 291.027491 187.5
[M+Na-2H]- 252.988306 139.7
[M]+ 232.01309142 146.5
[M]- 232.01418858 146.5
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

No patent data available for this compound.