CID 81638

N-(chloroacetyl)phthalimide

Structural Information

Molecular Formula

C₁₀H₆ClNO₃

SMILES

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

InChI

InChI=1S/C10H6ClNO3/c11-5-8(13)12-9(14)6-3-1-2-4-7(6)10(12)15/h1-4H,5H2

InChIKey

MHOLXDZIPDVQRT-UHFFFAOYSA-N

Compound name

2-(2-chloroacetyl)isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 223.00362 Da
Monoisotopic Mass: 1.7
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]+	224.010896	142.8
[M+Na]+	245.992838	154.2
[M-H]-	221.996344	146.7
[M+NH4]+	241.037443	163.9
[M+K]+	261.966778	150.0
[M+H-H2O]+	206.000880	137.9
[M+HCOO]-	268.001821	160.6
[M+CH3COO]-	282.017471	185.7
[M+Na-2H]-	243.978286	146.6
[M]+	223.00307142	146.4
[M]-	223.00416858	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe