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

14
Patents

238.99458 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.001856 146.3
[M+Na]+ 261.983798 157.4
[M-H]- 237.987304 153.0
[M+NH4]+ 257.028403 167.4
[M+K]+ 277.957738 145.6
[M+H-H2O]+ 221.991840 146.2
[M+HCOO]- 283.992781 165.3
[M+CH3COO]- 298.008431 184.4
[M+Na-2H]- 259.969246 151.0
[M]+ 238.99403142 161.0
[M]- 238.99512858 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