CID 16733784

1-[2-(trifluoromethyl)benzoyl]piperazine

Structural Information

Molecular Formula
C12H13F3N2O
SMILES
C1CN(CCN1)C(=O)C2=CC=CC=C2C(F)(F)F
InChI
InChI=1S/C12H13F3N2O/c13-12(14,15)10-4-2-1-3-9(10)11(18)17-7-5-16-6-8-17/h1-4,16H,5-8H2
InChIKey
VDWDAGOWIJYIGH-UHFFFAOYSA-N
Compound name
piperazin-1-yl-[2-(trifluoromethyl)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

204
Patents

258.098 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10528 156.5
[M+Na]+ 281.08722 162.1
[M-H]- 257.09072 154.3
[M+NH4]+ 276.13182 169.3
[M+K]+ 297.06116 157.5
[M+H-H2O]+ 241.09526 145.7
[M+HCOO]- 303.09620 167.6
[M+CH3COO]- 317.11185 190.2
[M+Na-2H]- 279.07267 159.1
[M]+ 258.09745 146.1
[M]- 258.09855 146.1
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