CID 64210939

3-bromo-1-(4-fluorophenyl)piperidin-2-one

Structural Information

Molecular Formula
C11H11BrFNO
SMILES
C1CC(C(=O)N(C1)C2=CC=C(C=C2)F)Br
InChI
InChI=1S/C11H11BrFNO/c12-10-2-1-7-14(11(10)15)9-5-3-8(13)4-6-9/h3-6,10H,1-2,7H2
InChIKey
VFNAGEBCCYECJQ-UHFFFAOYSA-N
Compound name
3-bromo-1-(4-fluorophenyl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0008 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.008076 151.6
[M+Na]+ 293.990018 162.5
[M-H]- 269.993524 158.1
[M+NH4]+ 289.034623 170.4
[M+K]+ 309.963958 150.9
[M+H-H2O]+ 253.998060 150.0
[M+HCOO]- 315.999001 168.5
[M+CH3COO]- 330.014651 193.7
[M+Na-2H]- 291.975466 156.5
[M]+ 271.00025142 165.7
[M]- 271.00134858 165.7
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

No patent data available for this compound.