CID 3659177

2-(4-trifluoromethylphenyl)piperazine

Structural Information

Molecular Formula
C11H13F3N2
SMILES
C1CNC(CN1)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C11H13F3N2/c12-11(13,14)9-3-1-8(2-4-9)10-7-15-5-6-16-10/h1-4,10,15-16H,5-7H2
InChIKey
NLNCQJXRJLNBOU-UHFFFAOYSA-N
Compound name
2-[4-(trifluoromethyl)phenyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

230.10309 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.11037 153.3
[M+Na]+ 253.09231 161.8
[M+NH4]+ 248.13691 158.6
[M+K]+ 269.06625 156.4
[M-H]- 229.09581 150.7
[M+Na-2H]- 251.07776 157.6
[M]+ 230.10254 153.3
[M]- 230.10364 153.3
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