CID 8628

2-amino-5-chlorobenzenesulfonic acid

Structural Information

Molecular Formula
C6H6ClNO3S
SMILES
C1=CC(=C(C=C1Cl)S(=O)(=O)O)N
InChI
InChI=1S/C6H6ClNO3S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,8H2,(H,9,10,11)
InChIKey
ZCGVPUAAMCMLTM-UHFFFAOYSA-N
Compound name
2-amino-5-chlorobenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

417
Patents

206.9757 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.98298 139.1
[M+Na]+ 229.96492 150.6
[M+NH4]+ 225.00952 146.7
[M+K]+ 245.93886 144.3
[M-H]- 205.96842 139.7
[M+Na-2H]- 227.95037 144.2
[M]+ 206.97515 141.5
[M]- 206.97625 141.5
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

patents stripe