CID 62671593

2-methyl-1-[4-(trifluoromethyl)phenyl]piperazine

Structural Information

Molecular Formula
C12H15F3N2
SMILES
CC1CNCCN1C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C12H15F3N2/c1-9-8-16-6-7-17(9)11-4-2-10(3-5-11)12(13,14)15/h2-5,9,16H,6-8H2,1H3
InChIKey
GDUWSJMPXLBYPG-UHFFFAOYSA-N
Compound name
2-methyl-1-[4-(trifluoromethyl)phenyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

244.11873 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12601 154.8
[M+Na]+ 267.10795 161.3
[M-H]- 243.11145 152.8
[M+NH4]+ 262.15255 168.7
[M+K]+ 283.08189 156.3
[M+H-H2O]+ 227.11599 144.2
[M+HCOO]- 289.11693 166.4
[M+CH3COO]- 303.13258 190.0
[M+Na-2H]- 265.09340 157.7
[M]+ 244.11818 144.8
[M]- 244.11928 144.8
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