CID 84696240

[1-(difluoromethyl)cyclopentyl]methanesulfonyl chloride

Structural Information

Molecular Formula
C7H11ClF2O2S
SMILES
C1CCC(C1)(CS(=O)(=O)Cl)C(F)F
InChI
InChI=1S/C7H11ClF2O2S/c8-13(11,12)5-7(6(9)10)3-1-2-4-7/h6H,1-5H2
InChIKey
AGCUYRKTGMTINX-UHFFFAOYSA-N
Compound name
[1-(difluoromethyl)cyclopentyl]methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.01364 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.02092 143.1
[M+Na]+ 255.00286 151.5
[M-H]- 231.00636 144.1
[M+NH4]+ 250.04746 165.8
[M+K]+ 270.97680 148.0
[M+H-H2O]+ 215.01090 138.6
[M+HCOO]- 277.01184 152.5
[M+CH3COO]- 291.02749 182.3
[M+Na-2H]- 252.98831 144.5
[M]+ 232.01309 142.7
[M]- 232.01419 142.7
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

No patent data available for this compound.