CID 4713013

5-amino-2-chlorobenzenethiol

Structural Information

Molecular Formula
C6H6ClNS
SMILES
C1=CC(=C(C=C1N)S)Cl
InChI
InChI=1S/C6H6ClNS/c7-5-2-1-4(8)3-6(5)9/h1-3,9H,8H2
InChIKey
SBTNBOPVNUUAQJ-UHFFFAOYSA-N
Compound name
5-amino-2-chlorobenzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

158.99095 Da
Monoisotopic Mass

2.2
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

No literature data available for this compound.

Patent stripe

patents stripe