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]+ 205.008446 135.7
[M+Na]+ 226.990388 147.0
[M-H]- 202.993894 140.7
[M+NH4]+ 222.034993 157.2
[M+K]+ 242.964328 143.6
[M+H-H2O]+ 186.998430 131.7
[M+HCOO]- 248.999371 151.3
[M+CH3COO]- 263.015021 183.4
[M+Na-2H]- 224.975836 138.9
[M]+ 204.00062142 143.3
[M]- 204.00171858 143.3
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.