CID 268161

Trans-2-chlorocyclopentyl p-tolyl sulfone

Structural Information

Molecular Formula
C12H15ClO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C2CCCC2Cl
InChI
InChI=1S/C12H15ClO2S/c1-9-5-7-10(8-6-9)16(14,15)12-4-2-3-11(12)13/h5-8,11-12H,2-4H2,1H3
InChIKey
ODICXHKSKRSPEO-UHFFFAOYSA-N
Compound name
1-(2-chlorocyclopentyl)sulfonyl-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.04813 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.05541 156.6
[M+Na]+ 281.03735 168.8
[M+NH4]+ 276.08195 165.7
[M+K]+ 297.01129 161.6
[M-H]- 257.04085 159.5
[M+Na-2H]- 279.02280 162.6
[M]+ 258.04758 159.9
[M]- 258.04868 159.9
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.