CID 91874124

2-chloro-6-methoxybenzene-1-thiol

Structural Information

Molecular Formula
C7H7ClOS
SMILES
COC1=C(C(=CC=C1)Cl)S
InChI
InChI=1S/C7H7ClOS/c1-9-6-4-2-3-5(8)7(6)10/h2-4,10H,1H3
InChIKey
XGAPXPGCASAKFH-UHFFFAOYSA-N
Compound name
2-chloro-6-methoxybenzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

173.99062 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.997896 128.5
[M+Na]+ 196.979838 139.4
[M-H]- 172.983344 133.3
[M+NH4]+ 192.024443 150.9
[M+K]+ 212.953778 135.8
[M+H-H2O]+ 156.987880 124.6
[M+HCOO]- 218.988821 144.1
[M+CH3COO]- 233.004471 177.3
[M+Na-2H]- 194.965286 132.7
[M]+ 173.99007142 133.9
[M]- 173.99116858 133.9
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