CID 88602

20583-44-2

Structural Information

Molecular Formula
C10H6ClNO2
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)C=CCl
InChI
InChI=1S/C10H6ClNO2/c11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-6H
InChIKey
MQDUGZKSWGCSEX-UHFFFAOYSA-N
Compound name
2-(2-chloroethenyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.00871 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.015986 140.4
[M+Na]+ 229.997928 152.2
[M-H]- 206.001434 144.2
[M+NH4]+ 225.042533 162.3
[M+K]+ 245.971868 146.9
[M+H-H2O]+ 190.005970 135.4
[M+HCOO]- 252.006911 159.0
[M+CH3COO]- 266.022561 182.8
[M+Na-2H]- 227.983376 145.2
[M]+ 207.00816142 143.1
[M]- 207.00925858 143.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.