CID 16227168

923170-91-6

Structural Information

Molecular Formula
C14H16ClFN2O2
SMILES
CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CCl)F
InChI
InChI=1S/C14H16ClFN2O2/c1-10(19)11-2-3-13(12(16)8-11)17-4-6-18(7-5-17)14(20)9-15/h2-3,8H,4-7,9H2,1H3
InChIKey
ICADSZGSHLWDTL-UHFFFAOYSA-N
Compound name
1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-chloroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.08844 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09572 164.9
[M+Na]+ 321.07766 172.0
[M-H]- 297.08116 166.9
[M+NH4]+ 316.12226 178.1
[M+K]+ 337.05160 167.1
[M+H-H2O]+ 281.08570 155.8
[M+HCOO]- 343.08664 175.5
[M+CH3COO]- 357.10229 201.7
[M+Na-2H]- 319.06311 164.6
[M]+ 298.08789 163.1
[M]- 298.08899 163.1
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.