CID 2781068

278610-39-2

Structural Information

Molecular Formula
C9H5ClN2O2
SMILES
C1=CC(=C(N=C1)Cl)N2C(=O)C=CC2=O
InChI
InChI=1S/C9H5ClN2O2/c10-9-6(2-1-5-11-9)12-7(13)3-4-8(12)14/h1-5H
InChIKey
JVJJPDZQLVCNFU-UHFFFAOYSA-N
Compound name
1-(2-chloropyridin-3-yl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.00395 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.01123 139.4
[M+Na]+ 230.99317 151.1
[M-H]- 206.99667 144.2
[M+NH4]+ 226.03777 158.4
[M+K]+ 246.96711 146.6
[M+H-H2O]+ 191.00121 132.3
[M+HCOO]- 253.00215 158.2
[M+CH3COO]- 267.01780 182.2
[M+Na-2H]- 228.97862 143.8
[M]+ 208.00340 141.5
[M]- 208.00450 141.5
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.