CID 84888

1-(3-chlorophenyl)pyrrolidine-2,5-dione

Structural Information

Molecular Formula
C10H8ClNO2
SMILES
C1CC(=O)N(C1=O)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C10H8ClNO2/c11-7-2-1-3-8(6-7)12-9(13)4-5-10(12)14/h1-3,6H,4-5H2
InChIKey
NZLHBSYWLCUPSL-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

209.02435 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.03163 141.3
[M+Na]+ 232.01357 155.1
[M+NH4]+ 227.05817 149.9
[M+K]+ 247.98751 149.8
[M-H]- 208.01707 144.0
[M+Na-2H]- 229.99902 148.2
[M]+ 209.02380 144.2
[M]- 209.02490 144.2
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

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