CID 3465232

3-bromo-1-phenylpyrrolidin-2-one

Structural Information

Molecular Formula
C10H10BrNO
SMILES
C1CN(C(=O)C1Br)C2=CC=CC=C2
InChI
InChI=1S/C10H10BrNO/c11-9-6-7-12(10(9)13)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey
OXRJWDQGHVJQAU-UHFFFAOYSA-N
Compound name
3-bromo-1-phenylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

238.99458 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.00186 145.3
[M+Na]+ 261.98380 156.9
[M-H]- 237.98730 153.4
[M+NH4]+ 257.02840 167.1
[M+K]+ 277.95774 146.0
[M+H-H2O]+ 221.99184 145.0
[M+HCOO]- 283.99278 165.8
[M+CH3COO]- 298.00843 186.9
[M+Na-2H]- 259.96925 150.5
[M]+ 238.99403 161.8
[M]- 238.99513 161.8
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

patents stripe