CID 68105757

3-amino-2-chloro-5-hydroxybenzoic acid hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

187.00362 Da
Monoisotopic Mass

1.0
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

No literature data available for this compound.

Patent stripe

patents stripe