CID 550711

1-(3,4-difluorobenzoyl)-4-methylpiperazine

Structural Information

Molecular Formula
C12H14F2N2O
SMILES
CN1CCN(CC1)C(=O)C2=CC(=C(C=C2)F)F
InChI
InChI=1S/C12H14F2N2O/c1-15-4-6-16(7-5-15)12(17)9-2-3-10(13)11(14)8-9/h2-3,8H,4-7H2,1H3
InChIKey
ZCPNSVBDWJVJSY-UHFFFAOYSA-N
Compound name
(3,4-difluorophenyl)-(4-methylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

240.10742 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.11470 156.6
[M+Na]+ 263.09664 167.6
[M+NH4]+ 258.14124 162.8
[M+K]+ 279.07058 161.4
[M-H]- 239.10014 156.3
[M+Na-2H]- 261.08209 161.5
[M]+ 240.10687 157.7
[M]- 240.10797 157.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.