CID 63156616

4-(4-bromo-2-fluorophenyl)piperidine hydrochloride

Structural Information

Molecular Formula
C11H13BrFN
SMILES
C1CNCCC1C2=C(C=C(C=C2)Br)F
InChI
InChI=1S/C11H13BrFN/c12-9-1-2-10(11(13)7-9)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2
InChIKey
GQKYLUFTVNKVKY-UHFFFAOYSA-N
Compound name
4-(4-bromo-2-fluorophenyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

257.02155 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.02883 151.4
[M+Na]+ 280.01077 160.8
[M-H]- 256.01427 156.2
[M+NH4]+ 275.05537 169.9
[M+K]+ 295.98471 148.3
[M+H-H2O]+ 240.01881 150.0
[M+HCOO]- 302.01975 166.5
[M+CH3COO]- 316.03540 164.1
[M+Na-2H]- 277.99622 156.4
[M]+ 257.02100 162.7
[M]- 257.02210 162.7
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