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]+ 273.039716 154.7
[M+Na]+ 295.021658 164.9
[M-H]- 271.025164 158.4
[M+NH4]+ 290.066263 171.7
[M+K]+ 310.995598 152.3
[M+H-H2O]+ 255.029700 152.6
[M+HCOO]- 317.030641 168.5
[M+CH3COO]- 331.046291 167.0
[M+Na-2H]- 293.007106 159.1
[M]+ 272.03189142 166.8
[M]- 272.03298858 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.