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]+ 233.02092 137.0
[M+Na]+ 255.00286 143.5
[M-H]- 231.00636 137.9
[M+NH4]+ 250.04746 151.4
[M+K]+ 270.97680 142.9
[M+H-H2O]+ 215.01090 127.3
[M+HCOO]- 277.01184 145.4
[M+CH3COO]- 291.02749 187.5
[M+Na-2H]- 252.98831 139.7
[M]+ 232.01309 146.5
[M]- 232.01419 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.