CID 16769721

1-(2-chloro-4-fluorobenzoyl)piperazine

Structural Information

Molecular Formula
C11H12ClFN2O
SMILES
C1CN(CCN1)C(=O)C2=C(C=C(C=C2)F)Cl
InChI
InChI=1S/C11H12ClFN2O/c12-10-7-8(13)1-2-9(10)11(16)15-5-3-14-4-6-15/h1-2,7,14H,3-6H2
InChIKey
VWIIKYCGMFUEGT-UHFFFAOYSA-N
Compound name
(2-chloro-4-fluorophenyl)-piperazin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.06223 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06951 150.9
[M+Na]+ 265.05145 158.0
[M-H]- 241.05495 151.4
[M+NH4]+ 260.09605 165.5
[M+K]+ 281.02539 152.4
[M+H-H2O]+ 225.05949 142.3
[M+HCOO]- 287.06043 161.5
[M+CH3COO]- 301.07608 186.9
[M+Na-2H]- 263.03690 153.4
[M]+ 242.06168 145.5
[M]- 242.06278 145.5
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.