CID 16769307

1-(2,4-difluorobenzoyl)piperazine hydrochloride

Structural Information

Molecular Formula
C11H12F2N2O
SMILES
C1CN(CCN1)C(=O)C2=C(C=C(C=C2)F)F
InChI
InChI=1S/C11H12F2N2O/c12-8-1-2-9(10(13)7-8)11(16)15-5-3-14-4-6-15/h1-2,7,14H,3-6H2
InChIKey
RGXBIPKSNLZMRP-UHFFFAOYSA-N
Compound name
(2,4-difluorophenyl)-piperazin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

226.09177 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.09905 148.8
[M+Na]+ 249.08099 155.2
[M-H]- 225.08449 148.2
[M+NH4]+ 244.12559 163.1
[M+K]+ 265.05493 150.9
[M+H-H2O]+ 209.08903 138.7
[M+HCOO]- 271.08997 162.9
[M+CH3COO]- 285.10562 185.9
[M+Na-2H]- 247.06644 151.1
[M]+ 226.09122 140.2
[M]- 226.09232 140.2
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

patents stripe