CID 54702979

77529-41-0

Structural Information

Molecular Formula

C₁₆H₁₁NO₃

SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C(=O)NC3=O)O

InChI

InChI=1S/C16H11NO3/c18-14-13(15(19)17-16(14)20)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,17,18,19,20)

InChIKey

JOHXXIIKYZCYCN-UHFFFAOYSA-N

Compound name

3-hydroxy-4-(4-phenylphenyl)pyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 265.07388 Da
Monoisotopic Mass: 2.4
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]+	266.081156	158.0
[M+Na]+	288.063098	167.1
[M-H]-	264.066604	164.9
[M+NH4]+	283.107703	173.5
[M+K]+	304.037038	161.2
[M+H-H2O]+	248.071140	150.3
[M+HCOO]-	310.072081	179.1
[M+CH3COO]-	324.087731	170.1
[M+Na-2H]-	286.048546	160.1
[M]+	265.07333142	155.9
[M]-	265.07442858	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe