CID 62085985

4-phenylcyclohexane-1-sulfonyl chloride

Structural Information

Molecular Formula
C12H15ClO2S
SMILES
C1CC(CCC1C2=CC=CC=C2)S(=O)(=O)Cl
InChI
InChI=1S/C12H15ClO2S/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2
InChIKey
ORJUQTSAVCSKAN-UHFFFAOYSA-N
Compound name
4-phenylcyclohexane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.04813 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.05541 154.6
[M+Na]+ 281.03735 167.6
[M+NH4]+ 276.08195 164.0
[M+K]+ 297.01129 158.3
[M-H]- 257.04085 158.3
[M+Na-2H]- 279.02280 162.1
[M]+ 258.04758 158.3
[M]- 258.04868 158.3
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.