CID 2873560

1-(3-fluorobenzoyl)piperazine hydrochloride

Structural Information

Molecular Formula
C11H13FN2O
SMILES
C1CN(CCN1)C(=O)C2=CC(=CC=C2)F
InChI
InChI=1S/C11H13FN2O/c12-10-3-1-2-9(8-10)11(15)14-6-4-13-5-7-14/h1-3,8,13H,4-7H2
InChIKey
KXFXHXPKGLLUGX-UHFFFAOYSA-N
Compound name
(3-fluorophenyl)-piperazin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

208.1012 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.10848 145.9
[M+Na]+ 231.09042 151.3
[M-H]- 207.09392 146.3
[M+NH4]+ 226.13502 160.8
[M+K]+ 247.06436 147.5
[M+H-H2O]+ 191.09846 136.6
[M+HCOO]- 253.09940 161.1
[M+CH3COO]- 267.11505 182.0
[M+Na-2H]- 229.07587 149.6
[M]+ 208.10065 138.1
[M]- 208.10175 138.1
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

patents stripe