CID 24212580

1-(5-bromo-2-fluorobenzoyl)-4-methylpiperazine

Structural Information

Molecular Formula
C12H14BrFN2O
SMILES
CN1CCN(CC1)C(=O)C2=C(C=CC(=C2)Br)F
InChI
InChI=1S/C12H14BrFN2O/c1-15-4-6-16(7-5-15)12(17)10-8-9(13)2-3-11(10)14/h2-3,8H,4-7H2,1H3
InChIKey
MMSLYZPEMUCQJV-UHFFFAOYSA-N
Compound name
(5-bromo-2-fluorophenyl)-(4-methylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.02734 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.03462 161.7
[M+Na]+ 323.01656 164.5
[M+NH4]+ 318.06116 165.3
[M+K]+ 338.99050 164.1
[M-H]- 299.02006 161.6
[M+Na-2H]- 321.00201 164.2
[M]+ 300.02679 160.8
[M]- 300.02789 160.8
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.