CID 10710

528-46-1

Structural Information

Molecular Formula

C₉H₆O₅

SMILES

C1=CC=C(C(=C1)C(=O)C(=O)O)C(=O)O

InChI

InChI=1S/C9H6O5/c10-7(9(13)14)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,11,12)(H,13,14)

InChIKey

LFLOMAIEONDOLV-UHFFFAOYSA-N

Compound name

2-oxalobenzoic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 5
References: 919
Patents: 194.02153 Da
Monoisotopic Mass: 0.6
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]+	195.028806	135.7
[M+Na]+	217.010748	143.0
[M-H]-	193.014254	137.1
[M+NH4]+	212.055353	153.3
[M+K]+	232.984688	141.7
[M+H-H2O]+	177.018790	130.4
[M+HCOO]-	239.019731	156.0
[M+CH3COO]-	253.035381	177.8
[M+Na-2H]-	214.996196	138.7
[M]+	194.02098142	135.5
[M]-	194.02207858	135.5

Literature stripe

literature stripe

Patent stripe

patents stripe