CID 18421622

6-(4-bromophenyl)piperidin-2-one

Structural Information

Molecular Formula
C11H12BrNO
SMILES
C1CC(NC(=O)C1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C11H12BrNO/c12-9-6-4-8(5-7-9)10-2-1-3-11(14)13-10/h4-7,10H,1-3H2,(H,13,14)
InChIKey
SFPGNDANMWJZEN-UHFFFAOYSA-N
Compound name
6-(4-bromophenyl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

253.01022 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.01750 148.7
[M+Na]+ 275.99944 158.2
[M-H]- 252.00294 154.8
[M+NH4]+ 271.04404 167.3
[M+K]+ 291.97338 146.2
[M+H-H2O]+ 236.00748 148.1
[M+HCOO]- 298.00842 165.2
[M+CH3COO]- 312.02407 187.7
[M+Na-2H]- 273.98489 154.4
[M]+ 253.00967 161.7
[M]- 253.01077 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