CID 101133

1628-20-2

Structural Information

Molecular Formula
C11H10ClNO2
SMILES
CN1C(=O)CC(C1=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H10ClNO2/c1-13-10(14)6-9(11(13)15)7-2-4-8(12)5-3-7/h2-5,9H,6H2,1H3
InChIKey
MAABSLSPCZJVDH-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-1-methylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.04001 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.04729 145.6
[M+Na]+ 246.02923 156.4
[M-H]- 222.03273 151.6
[M+NH4]+ 241.07383 165.7
[M+K]+ 262.00317 151.7
[M+H-H2O]+ 206.03727 139.7
[M+HCOO]- 268.03821 163.7
[M+CH3COO]- 282.05386 187.0
[M+Na-2H]- 244.01468 147.4
[M]+ 223.03946 147.0
[M]- 223.04056 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.