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 152.7
[M+Na]+ 263.09664 160.1
[M-H]- 239.10014 153.8
[M+NH4]+ 258.14124 167.6
[M+K]+ 279.07058 156.4
[M+H-H2O]+ 223.10468 142.4
[M+HCOO]- 285.10562 168.0
[M+CH3COO]- 299.12127 192.6
[M+Na-2H]- 261.08209 154.2
[M]+ 240.10687 146.8
[M]- 240.10797 146.8
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.