CID 15400

1-(4-chlorophenyl)-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula
C10H6ClNO2
SMILES
C1=CC(=CC=C1N2C(=O)C=CC2=O)Cl
InChI
InChI=1S/C10H6ClNO2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H
InChIKey
FPZQYYXSOJSITC-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

2437
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 140.0
[M+Na]+ 229.99793 154.7
[M+NH4]+ 225.04253 148.7
[M+K]+ 245.97187 149.2
[M-H]- 206.00143 142.9
[M+Na-2H]- 227.98338 147.8
[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

literature stripe

Patent stripe

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