CID 2392334

1-[(4-chlorophenyl)methyl]-2,5-dihydro-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula
C11H8ClNO2
SMILES
C1=CC(=CC=C1CN2C(=O)C=CC2=O)Cl
InChI
InChI=1S/C11H8ClNO2/c12-9-3-1-8(2-4-9)7-13-10(14)5-6-11(13)15/h1-6H,7H2
InChIKey
BPKNINBFRMHMQY-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl]pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

221.02435 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.031626 144.4
[M+Na]+ 244.013568 155.3
[M-H]- 220.017074 150.3
[M+NH4]+ 239.058173 164.3
[M+K]+ 259.987508 150.4
[M+H-H2O]+ 204.021610 138.1
[M+HCOO]- 266.022551 163.9
[M+CH3COO]- 280.038201 185.4
[M+Na-2H]- 241.999016 147.8
[M]+ 221.02380142 146.8
[M]- 221.02489858 146.8
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