CID 3016271

2-(3-amino-4-hydroxybenzoyl)benzoic acid

Structural Information

Molecular Formula
C14H11NO4
SMILES
C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)O)N)C(=O)O
InChI
InChI=1S/C14H11NO4/c15-11-7-8(5-6-12(11)16)13(17)9-3-1-2-4-10(9)14(18)19/h1-7,16H,15H2,(H,18,19)
InChIKey
WNAKJMCFTKLYCZ-UHFFFAOYSA-N
Compound name
2-(3-amino-4-hydroxybenzoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

257.06882 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.076096 155.4
[M+Na]+ 280.058038 162.6
[M-H]- 256.061544 159.7
[M+NH4]+ 275.102643 170.1
[M+K]+ 296.031978 159.1
[M+H-H2O]+ 240.066080 148.4
[M+HCOO]- 302.067021 176.3
[M+CH3COO]- 316.082671 193.8
[M+Na-2H]- 278.043486 157.3
[M]+ 257.06827142 153.3
[M]- 257.06936858 153.3
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