CID 63788045

3-bromo-1-(3-chlorophenyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C10H9BrClNO
SMILES
C1CN(C(=O)C1Br)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C10H9BrClNO/c11-9-4-5-13(10(9)14)8-3-1-2-7(12)6-8/h1-3,6,9H,4-5H2
InChIKey
UGZCVJHTCSFIKL-UHFFFAOYSA-N
Compound name
3-bromo-1-(3-chlorophenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

272.9556 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.96288 151.0
[M+Na]+ 295.94482 164.4
[M-H]- 271.94832 159.2
[M+NH4]+ 290.98942 172.7
[M+K]+ 311.91876 151.6
[M+H-H2O]+ 255.95286 151.3
[M+HCOO]- 317.95380 167.0
[M+CH3COO]- 331.96945 191.5
[M+Na-2H]- 293.93027 155.2
[M]+ 272.95505 169.6
[M]- 272.95615 169.6
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

No patent data available for this compound.