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 135.7
[M+Na]+ 226.99039 147.0
[M-H]- 202.99389 140.7
[M+NH4]+ 222.03499 157.2
[M+K]+ 242.96433 143.6
[M+H-H2O]+ 186.99843 131.7
[M+HCOO]- 248.99937 151.3
[M+CH3COO]- 263.01502 183.4
[M+Na-2H]- 224.97584 138.9
[M]+ 204.00062 143.3
[M]- 204.00172 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.