CID 99174

Phenylmaleic anhydride

Structural Information

Molecular Formula

C₁₀H₆O₃

SMILES

C1=CC=C(C=C1)C2=CC(=O)OC2=O

InChI

InChI=1S/C10H6O3/c11-9-6-8(10(12)13-9)7-4-2-1-3-5-7/h1-6H

InChIKey

QZYCWJVSPFQUQC-UHFFFAOYSA-N

Compound name

3-phenylfuran-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4971
Patents: 174.0317 Da
Monoisotopic Mass: 1.5
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]+	175.03898	130.7
[M+Na]+	197.02092	140.5
[M-H]-	173.02442	139.0
[M+NH4]+	192.06552	151.5
[M+K]+	212.99486	139.4
[M+H-H2O]+	157.02896	125.3
[M+HCOO]-	219.02990	156.1
[M+CH3COO]-	233.04555	176.9
[M+Na-2H]-	195.00637	137.2
[M]+	174.03115	132.2
[M]-	174.03225	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe