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]+ 208.01599 140.4
[M+Na]+ 229.99793 152.2
[M-H]- 206.00143 144.2
[M+NH4]+ 225.04253 162.3
[M+K]+ 245.97187 146.9
[M+H-H2O]+ 190.00597 135.4
[M+HCOO]- 252.00691 159.0
[M+CH3COO]- 266.02256 182.8
[M+Na-2H]- 227.98338 145.2
[M]+ 207.00816 143.1
[M]- 207.00926 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.