CID 114947

2-amino-4-chloro-3-hydroxybenzoic acid

Structural Information

Molecular Formula
C7H6ClNO3
SMILES
C1=CC(=C(C(=C1C(=O)O)N)O)Cl
InChI
InChI=1S/C7H6ClNO3/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,10H,9H2,(H,11,12)
InChIKey
VWEPFJPQZFIOAU-UHFFFAOYSA-N
Compound name
2-amino-4-chloro-3-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

21
References

70
Patents

187.00362 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.01090 133.3
[M+Na]+ 209.99284 143.3
[M-H]- 185.99634 134.9
[M+NH4]+ 205.03744 152.6
[M+K]+ 225.96678 139.3
[M+H-H2O]+ 170.00088 129.6
[M+HCOO]- 232.00182 151.3
[M+CH3COO]- 246.01747 178.1
[M+Na-2H]- 207.97829 137.0
[M]+ 187.00307 133.2
[M]- 187.00417 133.2
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