CID 5008433

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

Structural Information

Molecular Formula
C13H16ClFN2O
SMILES
C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCCl
InChI
InChI=1S/C13H16ClFN2O/c14-6-5-13(18)17-9-7-16(8-10-17)12-3-1-11(15)2-4-12/h1-4H,5-10H2
InChIKey
QTWXBWQEFJCDAY-UHFFFAOYSA-N
Compound name
3-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

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.10078 159.6
[M+Na]+ 293.08272 166.2
[M-H]- 269.08622 161.1
[M+NH4]+ 288.12732 173.8
[M+K]+ 309.05666 161.0
[M+H-H2O]+ 253.09076 150.2
[M+HCOO]- 315.09170 171.0
[M+CH3COO]- 329.10735 195.4
[M+Na-2H]- 291.06817 161.5
[M]+ 270.09295 156.8
[M]- 270.09405 156.8
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.