CID 18423111

1-(2,4,6-trifluorophenyl)piperazine

Structural Information

Molecular Formula
C10H11F3N2
SMILES
C1CN(CCN1)C2=C(C=C(C=C2F)F)F
InChI
InChI=1S/C10H11F3N2/c11-7-5-8(12)10(9(13)6-7)15-3-1-14-2-4-15/h5-6,14H,1-4H2
InChIKey
VXGQMYJMEDLZLB-UHFFFAOYSA-N
Compound name
1-(2,4,6-trifluorophenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

216.08743 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.094706 145.0
[M+Na]+ 239.076648 152.9
[M-H]- 215.080154 143.4
[M+NH4]+ 234.121253 160.2
[M+K]+ 255.050588 147.8
[M+H-H2O]+ 199.084690 134.4
[M+HCOO]- 261.085631 159.0
[M+CH3COO]- 275.101281 185.4
[M+Na-2H]- 237.062096 147.7
[M]+ 216.08688142 135.3
[M]- 216.08797858 135.3
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