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

29
Patents

216.08743 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.09471 145.0
[M+Na]+ 239.07665 152.9
[M-H]- 215.08015 143.4
[M+NH4]+ 234.12125 160.2
[M+K]+ 255.05059 147.8
[M+H-H2O]+ 199.08469 134.4
[M+HCOO]- 261.08563 159.0
[M+CH3COO]- 275.10128 185.4
[M+Na-2H]- 237.06210 147.7
[M]+ 216.08688 135.3
[M]- 216.08798 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