CID 74077

3,4,5,6-tetrachlorophthalimide

Structural Information

Molecular Formula

C₈HCl₄NO₂

SMILES

C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)NC2=O

InChI

InChI=1S/C8HCl4NO2/c9-3-1-2(8(15)13-7(1)14)4(10)6(12)5(3)11/h(H,13,14,15)

InChIKey

LPUUYZVKCMCHLO-UHFFFAOYSA-N

Compound name

4,5,6,7-tetrachloroisoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 1184
Patents: 282.87613 Da
Monoisotopic Mass: 3.2
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]+	283.88341	153.6
[M+Na]+	305.86535	167.0
[M-H]-	281.86885	153.3
[M+NH4]+	300.90995	171.8
[M+K]+	321.83929	160.1
[M+H-H2O]+	265.87339	151.2
[M+HCOO]-	327.87433	154.5
[M+CH3COO]-	341.88998	164.8
[M+Na-2H]-	303.85080	153.4
[M]+	282.87558	155.2
[M]-	282.87668	155.2

Literature stripe

literature stripe

Patent stripe

patents stripe