CID 14736079

2-(2-chlorophenyl)ethane-1-thiol

Structural Information

Molecular Formula
C8H9ClS
SMILES
C1=CC=C(C(=C1)CCS)Cl
InChI
InChI=1S/C8H9ClS/c9-8-4-2-1-3-7(8)5-6-10/h1-4,10H,5-6H2
InChIKey
TZMSNXHKWBFVME-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

172.01135 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.01863 132.3
[M+Na]+ 195.00057 147.1
[M+NH4]+ 190.04517 143.3
[M+K]+ 210.97451 136.6
[M-H]- 171.00407 136.1
[M+Na-2H]- 192.98602 140.3
[M]+ 172.01080 136.5
[M]- 172.01190 136.5
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