CID 82300845

(1-phenylcyclopentyl)methanesulfonyl chloride

Structural Information

Molecular Formula
C12H15ClO2S
SMILES
C1CCC(C1)(CS(=O)(=O)Cl)C2=CC=CC=C2
InChI
InChI=1S/C12H15ClO2S/c13-16(14,15)10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKey
HXSRARWGAWNOGT-UHFFFAOYSA-N
Compound name
(1-phenylcyclopentyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.04813 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.05541 156.5
[M+Na]+ 281.03735 168.0
[M+NH4]+ 276.08195 167.0
[M+K]+ 297.01129 158.9
[M-H]- 257.04085 159.2
[M+Na-2H]- 279.02280 164.6
[M]+ 258.04758 159.8
[M]- 258.04868 159.8
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.