CID 854421

1-(3-chloro-4-methylphenyl)pyrrolidine-2,5-dione

Structural Information

Molecular Formula
C11H10ClNO2
SMILES
CC1=C(C=C(C=C1)N2C(=O)CCC2=O)Cl
InChI
InChI=1S/C11H10ClNO2/c1-7-2-3-8(6-9(7)12)13-10(14)4-5-11(13)15/h2-3,6H,4-5H2,1H3
InChIKey
VQMWMBHXZMUFPW-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-methylphenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

223.04001 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.047286 145.6
[M+Na]+ 246.029228 156.4
[M-H]- 222.032734 151.6
[M+NH4]+ 241.073833 165.7
[M+K]+ 262.003168 151.7
[M+H-H2O]+ 206.037270 139.7
[M+HCOO]- 268.038211 163.7
[M+CH3COO]- 282.053861 187.0
[M+Na-2H]- 244.014676 147.4
[M]+ 223.03946142 147.0
[M]- 223.04055858 147.0
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

No patent data available for this compound.