CID 59165913

3-(3-bromophenyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C10H10BrNO
SMILES
C1CNC(=O)C1C2=CC(=CC=C2)Br
InChI
InChI=1S/C10H10BrNO/c11-8-3-1-2-7(6-8)9-4-5-12-10(9)13/h1-3,6,9H,4-5H2,(H,12,13)
InChIKey
CLYILMPDEBXAEY-UHFFFAOYSA-N
Compound name
3-(3-bromophenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

238.99458 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.00186 146.3
[M+Na]+ 261.98380 157.4
[M-H]- 237.98730 153.0
[M+NH4]+ 257.02840 167.4
[M+K]+ 277.95774 145.6
[M+H-H2O]+ 221.99184 146.2
[M+HCOO]- 283.99278 165.3
[M+CH3COO]- 298.00843 184.4
[M+Na-2H]- 259.96925 151.0
[M]+ 238.99403 161.0
[M]- 238.99513 161.0
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

patents stripe