CID 46840040

3-(4-bromophenyl)piperidin-2-one

Structural Information

Molecular Formula
C11H12BrNO
SMILES
C1CC(C(=O)NC1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C11H12BrNO/c12-9-5-3-8(4-6-9)10-2-1-7-13-11(10)14/h3-6,10H,1-2,7H2,(H,13,14)
InChIKey
VFNRGZUNLYRMOP-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

253.01022 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.017496 148.7
[M+Na]+ 275.999438 158.2
[M-H]- 252.002944 154.8
[M+NH4]+ 271.044043 167.3
[M+K]+ 291.973378 146.2
[M+H-H2O]+ 236.007480 148.1
[M+HCOO]- 298.008421 165.2
[M+CH3COO]- 312.024071 187.7
[M+Na-2H]- 273.984886 154.4
[M]+ 253.00967142 161.7
[M]- 253.01076858 161.7
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