CID 84672779

[1-(difluoromethyl)cyclopropyl]methanesulfonyl chloride

Structural Information

Molecular Formula
C5H7ClF2O2S
SMILES
C1CC1(CS(=O)(=O)Cl)C(F)F
InChI
InChI=1S/C5H7ClF2O2S/c6-11(9,10)3-5(1-2-5)4(7)8/h4H,1-3H2
InChIKey
AAEHAOGULIKNPK-UHFFFAOYSA-N
Compound name
[1-(difluoromethyl)cyclopropyl]methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.98233 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.98961 126.3
[M+Na]+ 226.97155 136.7
[M-H]- 202.97505 128.7
[M+NH4]+ 222.01615 143.4
[M+K]+ 242.94549 133.5
[M+H-H2O]+ 186.97959 121.4
[M+HCOO]- 248.98053 137.1
[M+CH3COO]- 262.99618 182.1
[M+Na-2H]- 224.95700 131.0
[M]+ 203.98178 130.5
[M]- 203.98288 130.5
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.