CID 3659177

2-[4-(trifluoromethyl)phenyl]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]+ 231.110366 150.2
[M+Na]+ 253.092308 155.8
[M-H]- 229.095814 146.7
[M+NH4]+ 248.136913 163.6
[M+K]+ 269.066248 150.1
[M+H-H2O]+ 213.100350 139.9
[M+HCOO]- 275.101291 160.7
[M+CH3COO]- 289.116941 183.3
[M+Na-2H]- 251.077756 154.0
[M]+ 230.10254142 137.7
[M]- 230.10363858 137.7
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