CID 28974984

4-phenylcyclohexanethiol

Structural Information

Molecular Formula
C12H16S
SMILES
C1CC(CCC1C2=CC=CC=C2)S
InChI
InChI=1S/C12H16S/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11-13H,6-9H2
InChIKey
HSUGQRCMAWNUTK-UHFFFAOYSA-N
Compound name
4-phenylcyclohexane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

192.09727 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.10455 140.9
[M+Na]+ 215.08649 154.5
[M+NH4]+ 210.13109 152.2
[M+K]+ 231.06043 144.0
[M-H]- 191.08999 147.0
[M+Na-2H]- 213.07194 149.7
[M]+ 192.09672 145.2
[M]- 192.09782 145.2
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