CID 2782804

1-(4-bromo-2-fluorobenzyl)piperazine

Structural Information

Molecular Formula
C11H14BrFN2
SMILES
C1CN(CCN1)CC2=C(C=C(C=C2)Br)F
InChI
InChI=1S/C11H14BrFN2/c12-10-2-1-9(11(13)7-10)8-15-5-3-14-4-6-15/h1-2,7,14H,3-6,8H2
InChIKey
NRCBEINBLSTDHM-UHFFFAOYSA-N
Compound name
1-[(4-bromo-2-fluorophenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

272.03244 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.03972 154.6
[M+Na]+ 295.02166 164.0
[M-H]- 271.02516 158.0
[M+NH4]+ 290.06626 171.3
[M+K]+ 310.99560 151.3
[M+H-H2O]+ 255.02970 152.4
[M+HCOO]- 317.03064 168.5
[M+CH3COO]- 331.04629 166.6
[M+Na-2H]- 293.00711 159.7
[M]+ 272.03189 166.4
[M]- 272.03299 166.4
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