CID 728369

285552-81-0

Structural Information

Molecular Formula

C₁₅H₈ClNO₄

SMILES

C1=CC(=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O)Cl

InChI

InChI=1S/C15H8ClNO4/c16-9-2-4-10(5-3-9)17-13(18)11-6-1-8(15(20)21)7-12(11)14(17)19/h1-7H,(H,20,21)

InChIKey

VNHFPPONXAFBPE-UHFFFAOYSA-N

Compound name

2-(4-chlorophenyl)-1,3-dioxoisoindole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 301.0142 Da
Monoisotopic Mass: 2.6
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]+	302.02148	162.7
[M+Na]+	324.00342	177.3
[M+NH4]+	319.04802	170.0
[M+K]+	339.97736	172.7
[M-H]-	300.00692	164.9
[M+Na-2H]-	321.98887	168.3
[M]+	301.01365	165.6
[M]-	301.01475	165.6

Literature stripe

literature stripe

Patent stripe

patents stripe