CID 578067

3,3'-azodibenzoic acid

Structural Information

Molecular Formula

C₁₄H₁₀N₂O₄

SMILES

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

InChI

InChI=1S/C14H10N2O4/c17-13(18)9-3-1-5-11(7-9)15-16-12-6-2-4-10(8-12)14(19)20/h1-8H,(H,17,18)(H,19,20)

InChIKey

QBVIXYABUQQSRY-UHFFFAOYSA-N

Compound name

3-[(3-carboxyphenyl)diazenyl]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 402
Patents: 270.06406 Da
Monoisotopic Mass: 2.8
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]+	271.07134	159.1
[M+Na]+	293.05328	170.7
[M+NH4]+	288.09788	165.2
[M+K]+	309.02722	165.6
[M-H]-	269.05678	162.5
[M+Na-2H]-	291.03873	166.8
[M]+	270.06351	161.3
[M]-	270.06461	161.3

Literature stripe

literature stripe

Patent stripe

patents stripe