CID 13589905

2-amino-4,5-dichlorobenzenethiol

Structural Information

Molecular Formula
C6H5Cl2NS
SMILES
C1=C(C(=CC(=C1Cl)Cl)S)N
InChI
InChI=1S/C6H5Cl2NS/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H,9H2
InChIKey
WWDDVHJPALVZTL-UHFFFAOYSA-N
Compound name
2-amino-4,5-dichlorobenzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

192.95198 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.95926 132.0
[M+Na]+ 215.94120 143.5
[M-H]- 191.94470 135.9
[M+NH4]+ 210.98580 153.6
[M+K]+ 231.91514 137.8
[M+H-H2O]+ 175.94924 129.2
[M+HCOO]- 237.95018 142.8
[M+CH3COO]- 251.96583 182.3
[M+Na-2H]- 213.92665 134.4
[M]+ 192.95143 135.0
[M]- 192.95253 135.0
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