CID 11089

Trimellitic anhydride

Structural Information

Molecular Formula

C₉H₄O₅

SMILES

C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O

InChI

InChI=1S/C9H4O5/c10-7(11)4-1-2-5-6(3-4)9(13)14-8(5)12/h1-3H,(H,10,11)

InChIKey

SRPWOOOHEPICQU-UHFFFAOYSA-N

Compound name

1,3-dioxo-2-benzofuran-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 298
References: 113546
Patents: 192.00587 Da
Monoisotopic Mass: 0.8
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]+	193.01315	134.9
[M+Na]+	214.99509	146.2
[M+NH4]+	210.03969	141.8
[M+K]+	230.96903	144.6
[M-H]-	190.99859	135.8
[M+Na-2H]-	212.98054	137.7
[M]+	192.00532	136.4
[M]-	192.00642	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe