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

59
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 150.2
[M+Na]+ 253.09231 155.8
[M-H]- 229.09581 146.7
[M+NH4]+ 248.13691 163.6
[M+K]+ 269.06625 150.1
[M+H-H2O]+ 213.10035 139.9
[M+HCOO]- 275.10129 160.7
[M+CH3COO]- 289.11694 183.3
[M+Na-2H]- 251.07776 154.0
[M]+ 230.10254 137.7
[M]- 230.10364 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