CID 12455966

18325-50-3

Structural Information

Molecular Formula

C₁₂H₁₆S

SMILES

C1CCC(CC1)C2=CC=C(C=C2)S

InChI

InChI=1S/C12H16S/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10,13H,1-5H2

InChIKey

JZDKCKQNXZYFAZ-UHFFFAOYSA-N

Compound name

4-cyclohexylbenzenethiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 174
Patents: 192.09727 Da
Monoisotopic Mass: 4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	193.10455	140.5
[M+Na]+	215.08649	146.3
[M-H]-	191.08999	146.7
[M+NH4]+	210.13109	160.5
[M+K]+	231.06043	142.8
[M+H-H2O]+	175.09453	134.1
[M+HCOO]-	237.09547	156.2
[M+CH3COO]-	251.11112	152.9
[M+Na-2H]-	213.07194	142.9
[M]+	192.09672	137.3
[M]-	192.09782	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe