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

21
Patents

244.11873 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.126006 154.8
[M+Na]+ 267.107948 161.3
[M-H]- 243.111454 152.8
[M+NH4]+ 262.152553 168.7
[M+K]+ 283.081888 156.3
[M+H-H2O]+ 227.115990 144.2
[M+HCOO]- 289.116931 166.4
[M+CH3COO]- 303.132581 190.0
[M+Na-2H]- 265.093396 157.7
[M]+ 244.11818142 144.8
[M]- 244.11927858 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