CID 90746

22156-34-9

Structural Information

Molecular Formula

C₁₀H₇Cl₂NO₂

SMILES

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

InChI

InChI=1S/C10H7Cl2NO2/c11-5-8(12)13-9(14)6-3-1-2-4-7(6)10(13)15/h1-4,8H,5H2

InChIKey

VGBCJXCFTBCISG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 242.98538 Da
Monoisotopic Mass: 2.7
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]+	243.992656	148.0
[M+Na]+	265.974598	159.4
[M-H]-	241.978104	151.0
[M+NH4]+	261.019203	168.6
[M+K]+	281.948538	153.8
[M+H-H2O]+	225.982640	143.4
[M+HCOO]-	287.983581	160.1
[M+CH3COO]-	301.999231	189.7
[M+Na-2H]-	263.960046	150.7
[M]+	242.98483142	151.8
[M]-	242.98592858	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe