CID 64939195

1-(4-bromo-2-fluorophenyl)-2-methylpiperazine dihydrochloride

Structural Information

Molecular Formula
C11H14BrFN2
SMILES
CC1CNCCN1C2=C(C=C(C=C2)Br)F
InChI
InChI=1S/C11H14BrFN2/c1-8-7-14-4-5-15(8)11-3-2-9(12)6-10(11)13/h2-3,6,8,14H,4-5,7H2,1H3
InChIKey
XDHFPYZULZXDQG-UHFFFAOYSA-N
Compound name
1-(4-bromo-2-fluorophenyl)-2-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.03244 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.03972 154.7
[M+Na]+ 295.02166 164.9
[M-H]- 271.02516 158.4
[M+NH4]+ 290.06626 171.7
[M+K]+ 310.99560 152.3
[M+H-H2O]+ 255.02970 152.6
[M+HCOO]- 317.03064 168.5
[M+CH3COO]- 331.04629 167.0
[M+Na-2H]- 293.00711 159.1
[M]+ 272.03189 166.8
[M]- 272.03299 166.8
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.