CID 16257

3-chlorothiophenol

Structural Information

Molecular Formula
C6H5ClS
SMILES
C1=CC(=CC(=C1)Cl)S
InChI
InChI=1S/C6H5ClS/c7-5-2-1-3-6(8)4-5/h1-4,8H
InChIKey
CQJDYPZUDYXHLM-UHFFFAOYSA-N
Compound name
3-chlorobenzenethiol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2934
Patents

143.98004 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.98732 123.3
[M+Na]+ 166.96926 138.6
[M+NH4]+ 162.01386 134.7
[M+K]+ 182.94320 128.5
[M-H]- 142.97276 127.3
[M+Na-2H]- 164.95471 131.9
[M]+ 143.97949 127.6
[M]- 143.98059 127.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe