CID 127824

5-((4-carboxyphenyl)diazenyl)-2-hydroxybenzoic acid

Structural Information

Molecular Formula
C14H10N2O5
SMILES
C1=CC(=CC=C1C(=O)O)N=NC2=CC(=C(C=C2)O)C(=O)O
InChI
InChI=1S/C14H10N2O5/c17-12-6-5-10(7-11(12)14(20)21)16-15-9-3-1-8(2-4-9)13(18)19/h1-7,17H,(H,18,19)(H,20,21)
InChIKey
JNVGBRQYZHTBTP-UHFFFAOYSA-N
Compound name
5-[(4-carboxyphenyl)diazenyl]-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

149
Patents

286.05896 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.06624 159.9
[M+Na]+ 309.04818 166.8
[M-H]- 285.05168 166.0
[M+NH4]+ 304.09278 173.8
[M+K]+ 325.02212 164.6
[M+H-H2O]+ 269.05622 151.9
[M+HCOO]- 331.05716 184.3
[M+CH3COO]- 345.07281 202.8
[M+Na-2H]- 307.03363 163.9
[M]+ 286.05841 160.5
[M]- 286.05951 160.5
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