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

16
Patents

244.11873 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.126006 153.9
[M+Na]+ 267.107948 158.2
[M-H]- 243.111454 151.2
[M+NH4]+ 262.152553 167.0
[M+K]+ 283.081888 153.7
[M+H-H2O]+ 227.115990 142.9
[M+HCOO]- 289.116931 164.6
[M+CH3COO]- 303.132581 188.6
[M+Na-2H]- 265.093396 157.2
[M]+ 244.11818142 142.5
[M]- 244.11927858 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