CID 137951832

2174002-04-9

Structural Information

Molecular Formula
C7H13ClO2S
SMILES
C[C@@H]1CCC[C@H]1CS(=O)(=O)Cl
InChI
InChI=1S/C7H13ClO2S/c1-6-3-2-4-7(6)5-11(8,9)10/h6-7H,2-5H2,1H3/t6-,7+/m1/s1
InChIKey
RIOXHVHSPYOXRG-RQJHMYQMSA-N
Compound name
[(1R,2R)-2-methylcyclopentyl]methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.03249 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.03977 141.2
[M+Na]+ 219.02171 150.0
[M-H]- 195.02521 145.1
[M+NH4]+ 214.06631 164.0
[M+K]+ 234.99565 146.6
[M+H-H2O]+ 179.02975 137.8
[M+HCOO]- 241.03069 153.6
[M+CH3COO]- 255.04634 177.7
[M+Na-2H]- 217.00716 142.3
[M]+ 196.03194 143.6
[M]- 196.03304 143.6
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.