CID 16495720

2-chloro-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

Structural Information

Molecular Formula
C13H16ClFN2O
SMILES
CC(C(=O)N1CCN(CC1)C2=CC=C(C=C2)F)Cl
InChI
InChI=1S/C13H16ClFN2O/c1-10(14)13(18)17-8-6-16(7-9-17)12-4-2-11(15)3-5-12/h2-5,10H,6-9H2,1H3
InChIKey
SQHVUCXOXGHTTH-UHFFFAOYSA-N
Compound name
2-chloro-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.0935 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.10078 159.0
[M+Na]+ 293.08272 165.3
[M-H]- 269.08622 160.7
[M+NH4]+ 288.12732 173.1
[M+K]+ 309.05666 160.7
[M+H-H2O]+ 253.09076 149.8
[M+HCOO]- 315.09170 169.4
[M+CH3COO]- 329.10735 196.3
[M+Na-2H]- 291.06817 159.8
[M]+ 270.09295 155.6
[M]- 270.09405 155.6
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.