CID 4339442

4-cyclohexylbenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C12H15ClO2S
SMILES
C1CCC(CC1)C2=CC=C(C=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/h6-10H,1-5H2
InChIKey
CREMYEDHKUWVTB-UHFFFAOYSA-N
Compound name
4-cyclohexylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

258.04813 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.05541 154.1
[M+Na]+ 281.03735 161.2
[M-H]- 257.04085 160.4
[M+NH4]+ 276.08195 172.1
[M+K]+ 297.01129 156.2
[M+H-H2O]+ 241.04539 148.6
[M+HCOO]- 303.04633 164.5
[M+CH3COO]- 317.06198 188.6
[M+Na-2H]- 279.02280 156.9
[M]+ 258.04758 154.0
[M]- 258.04868 154.0
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

patents stripe