CID 2782805

1-[4-(trifluoromethoxy)benzyl]piperazine

Structural Information

Molecular Formula
C12H15F3N2O
SMILES
C1CN(CCN1)CC2=CC=C(C=C2)OC(F)(F)F
InChI
InChI=1S/C12H15F3N2O/c13-12(14,15)18-11-3-1-10(2-4-11)9-17-7-5-16-6-8-17/h1-4,16H,5-9H2
InChIKey
YYHAJSIKVDIQNW-UHFFFAOYSA-N
Compound name
1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

260.11365 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.12093 160.6
[M+Na]+ 283.10287 169.0
[M+NH4]+ 278.14747 165.5
[M+K]+ 299.07681 163.5
[M-H]- 259.10637 158.0
[M+Na-2H]- 281.08832 164.8
[M]+ 260.11310 160.6
[M]- 260.11420 160.6
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

patents stripe