CID 248003

1-(3-chlorophenyl)-2,5-dihydro-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula
C10H6ClNO2
SMILES
C1=CC(=CC(=C1)Cl)N2C(=O)C=CC2=O
InChI
InChI=1S/C10H6ClNO2/c11-7-2-1-3-8(6-7)12-9(13)4-5-10(12)14/h1-6H
InChIKey
QDEQBRUNBFJJPW-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

566
Patents

207.00871 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.01599 139.6
[M+Na]+ 229.99793 151.0
[M-H]- 206.00143 145.8
[M+NH4]+ 225.04253 160.1
[M+K]+ 245.97187 146.3
[M+H-H2O]+ 190.00597 133.6
[M+HCOO]- 252.00691 159.6
[M+CH3COO]- 266.02256 182.4
[M+Na-2H]- 227.98338 143.7
[M]+ 207.00816 141.8
[M]- 207.00926 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe