CID 136911

Phenylsuccinic anhydride

Structural Information

Molecular Formula

C₁₀H₈O₃

SMILES

C1C(C(=O)OC1=O)C2=CC=CC=C2

InChI

InChI=1S/C10H8O3/c11-9-6-8(10(12)13-9)7-4-2-1-3-5-7/h1-5,8H,6H2

InChIKey

HDFKMLFDDYWABF-UHFFFAOYSA-N

Compound name

3-phenyloxolane-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2801
Patents: 176.04735 Da
Monoisotopic Mass: 1.2
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]+	177.05463	132.4
[M+Na]+	199.03657	141.2
[M-H]-	175.04007	140.3
[M+NH4]+	194.08117	153.1
[M+K]+	215.01051	140.2
[M+H-H2O]+	159.04461	127.0
[M+HCOO]-	221.04555	156.3
[M+CH3COO]-	235.06120	177.2
[M+Na-2H]-	197.02202	137.9
[M]+	176.04680	132.4
[M]-	176.04790	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe