CID 54592788

1-(2,2,2-trifluoro-1-phenylethyl)piperazine

Structural Information

Molecular Formula
C12H15F3N2
SMILES
C1CN(CCN1)C(C2=CC=CC=C2)C(F)(F)F
InChI
InChI=1S/C12H15F3N2/c13-12(14,15)11(10-4-2-1-3-5-10)17-8-6-16-7-9-17/h1-5,11,16H,6-9H2
InChIKey
CQHRSOBOUDXSBZ-UHFFFAOYSA-N
Compound name
1-(2,2,2-trifluoro-1-phenylethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

244.11873 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12601 153.9
[M+Na]+ 267.10795 158.2
[M-H]- 243.11145 151.2
[M+NH4]+ 262.15255 167.0
[M+K]+ 283.08189 153.7
[M+H-H2O]+ 227.11599 142.9
[M+HCOO]- 289.11693 164.6
[M+CH3COO]- 303.13258 188.6
[M+Na-2H]- 265.09340 157.2
[M]+ 244.11818 142.5
[M]- 244.11928 142.5
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