CID 79517494

1-(2-chlorophenyl)pyrrolidine-2,4-dione

Structural Information

Molecular Formula
C10H8ClNO2
SMILES
C1C(=O)CN(C1=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C10H8ClNO2/c11-8-3-1-2-4-9(8)12-6-7(13)5-10(12)14/h1-4H,5-6H2
InChIKey
QZOQOVHTERPLNK-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)pyrrolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.02435 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.03163 141.5
[M+Na]+ 232.01357 151.8
[M-H]- 208.01707 147.3
[M+NH4]+ 227.05817 161.8
[M+K]+ 247.98751 147.3
[M+H-H2O]+ 192.02161 135.4
[M+HCOO]- 254.02255 160.0
[M+CH3COO]- 268.03820 182.8
[M+Na-2H]- 229.99902 144.5
[M]+ 209.02380 142.1
[M]- 209.02490 142.1
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.