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]+ 272.00808 151.6
[M+Na]+ 293.99002 162.5
[M-H]- 269.99352 158.1
[M+NH4]+ 289.03462 170.4
[M+K]+ 309.96396 150.9
[M+H-H2O]+ 253.99806 150.0
[M+HCOO]- 315.99900 168.5
[M+CH3COO]- 330.01465 193.7
[M+Na-2H]- 291.97547 156.5
[M]+ 271.00025 165.7
[M]- 271.00135 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.