CID 43152914

2-chloro-4,5-dimethoxybenzene-1-thiol

Structural Information

Molecular Formula
C8H9ClO2S
SMILES
COC1=CC(=C(C=C1OC)Cl)S
InChI
InChI=1S/C8H9ClO2S/c1-10-6-3-5(9)8(12)4-7(6)11-2/h3-4,12H,1-2H3
InChIKey
REIRDXYGRJGSNX-UHFFFAOYSA-N
Compound name
2-chloro-4,5-dimethoxybenzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.00117 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.00845 138.8
[M+Na]+ 226.99039 153.3
[M+NH4]+ 222.03499 148.6
[M+K]+ 242.96433 144.3
[M-H]- 202.99389 141.7
[M+Na-2H]- 224.97584 145.5
[M]+ 204.00062 142.6
[M]- 204.00172 142.6
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

No patent data available for this compound.