CID 76603

3147-53-3

Structural Information

Molecular Formula

C₁₃H₁₀N₂O₃

SMILES

C1=CC=C(C=C1)N=NC2=CC(=C(C=C2)O)C(=O)O

InChI

InChI=1S/C13H10N2O3/c16-12-7-6-10(8-11(12)13(17)18)15-14-9-4-2-1-3-5-9/h1-8,16H,(H,17,18)

InChIKey

JHDYSXXPQIFFJZ-UHFFFAOYSA-N

Compound name

2-hydroxy-5-phenyldiazenylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 151
Patents: 242.06914 Da
Monoisotopic Mass: 4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	243.07642	150.5
[M+Na]+	265.05836	157.8
[M-H]-	241.06186	157.8
[M+NH4]+	260.10296	167.1
[M+K]+	281.03230	155.1
[M+H-H2O]+	225.06640	142.6
[M+HCOO]-	287.06734	177.3
[M+CH3COO]-	301.08299	196.1
[M+Na-2H]-	263.04381	157.3
[M]+	242.06859	150.7
[M]-	242.06969	150.7

Literature stripe

literature stripe

Patent stripe

patents stripe