CID 707109

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

Structural Information

Molecular Formula
C11H8ClNO2
SMILES
CC1=C(C=C(C=C1)N2C(=O)C=CC2=O)Cl
InChI
InChI=1S/C11H8ClNO2/c1-7-2-3-8(6-9(7)12)13-10(14)4-5-11(13)15/h2-6H,1H3
InChIKey
XZEWOPDHALLILR-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-methylphenyl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

74
Patents

221.02435 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.031626 143.7
[M+Na]+ 244.013568 155.6
[M-H]- 220.017074 150.1
[M+NH4]+ 239.058173 164.0
[M+K]+ 259.987508 150.7
[M+H-H2O]+ 204.021610 137.8
[M+HCOO]- 266.022551 163.3
[M+CH3COO]- 280.038201 186.6
[M+Na-2H]- 241.999016 146.6
[M]+ 221.02380142 146.6
[M]- 221.02489858 146.6
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