CID 2305077

1-(4-chloro-3-nitrophenyl)-2,5-dihydro-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula
C10H5ClN2O4
SMILES
C1=CC(=C(C=C1N2C(=O)C=CC2=O)[N+](=O)[O-])Cl
InChI
InChI=1S/C10H5ClN2O4/c11-7-2-1-6(5-8(7)13(16)17)12-9(14)3-4-10(12)15/h1-5H
InChIKey
DMLNDCQNBCAVPN-UHFFFAOYSA-N
Compound name
1-(4-chloro-3-nitrophenyl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

251.99379 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.00107 150.7
[M+Na]+ 274.98301 160.6
[M-H]- 250.98651 156.9
[M+NH4]+ 270.02761 168.2
[M+K]+ 290.95695 152.5
[M+H-H2O]+ 234.99105 149.1
[M+HCOO]- 296.99199 171.4
[M+CH3COO]- 311.00764 184.8
[M+Na-2H]- 272.96846 155.5
[M]+ 251.99324 151.7
[M]- 251.99434 151.7
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

patents stripe