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 145.5
[M+Na]+ 246.02923 159.4
[M+NH4]+ 241.07383 154.0
[M+K]+ 262.00317 154.2
[M-H]- 222.03273 148.3
[M+Na-2H]- 244.01468 151.9
[M]+ 223.03946 148.5
[M]- 223.04056 148.5
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.