CID 18997

N-chlorophthalimide

Structural Information

Molecular Formula

C₈H₄ClNO₂

SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)Cl

InChI

InChI=1S/C8H4ClNO2/c9-10-7(11)5-3-1-2-4-6(5)8(10)12/h1-4H

InChIKey

WDRFYIPWHMGQPN-UHFFFAOYSA-N

Compound name

2-chloroisoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2420
Patents: 180.99306 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]+	182.000336	131.7
[M+Na]+	203.982278	144.0
[M-H]-	179.985784	135.8
[M+NH4]+	199.026883	154.6
[M+K]+	219.956218	139.8
[M+H-H2O]+	163.990320	127.0
[M+HCOO]-	225.991261	150.7
[M+CH3COO]-	240.006911	178.2
[M+Na-2H]-	201.967726	137.6
[M]+	180.99251142	134.4
[M]-	180.99360858	134.4

Literature stripe

literature stripe

Patent stripe

patents stripe