CID 22729438

4-(3,4,5-trifluorophenyl)piperidine

Structural Information

Molecular Formula
C11H12F3N
SMILES
C1CNCCC1C2=CC(=C(C(=C2)F)F)F
InChI
InChI=1S/C11H12F3N/c12-9-5-8(6-10(13)11(9)14)7-1-3-15-4-2-7/h5-7,15H,1-4H2
InChIKey
HFKWRARNTZQLPC-UHFFFAOYSA-N
Compound name
4-(3,4,5-trifluorophenyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

215.09218 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.09946 144.4
[M+Na]+ 238.08140 151.8
[M-H]- 214.08490 144.2
[M+NH4]+ 233.12600 161.0
[M+K]+ 254.05534 146.8
[M+H-H2O]+ 198.08944 134.6
[M+HCOO]- 260.09038 159.4
[M+CH3COO]- 274.10603 185.6
[M+Na-2H]- 236.06685 146.6
[M]+ 215.09163 134.5
[M]- 215.09273 134.5
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