CID 10558919

2-amino-6-chlorobenzene-1-thiol hydrochloride

Structural Information

Molecular Formula
C6H6ClNS
SMILES
C1=CC(=C(C(=C1)Cl)S)N
InChI
InChI=1S/C6H6ClNS/c7-4-2-1-3-5(8)6(4)9/h1-3,9H,8H2
InChIKey
CUSZLHZMWOEZBU-UHFFFAOYSA-N
Compound name
2-amino-6-chlorobenzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

158.99095 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.99823 127.6
[M+Na]+ 181.98017 141.5
[M+NH4]+ 177.02477 138.2
[M+K]+ 197.95411 132.3
[M-H]- 157.98367 131.5
[M+Na-2H]- 179.96562 135.1
[M]+ 158.99040 131.5
[M]- 158.99150 131.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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