CID 23081575

4-{[4-(trifluoromethoxy)phenyl]methyl}piperidine hydrochloride

Structural Information

Molecular Formula
C13H16F3NO
SMILES
C1CNCCC1CC2=CC=C(C=C2)OC(F)(F)F
InChI
InChI=1S/C13H16F3NO/c14-13(15,16)18-12-3-1-10(2-4-12)9-11-5-7-17-8-6-11/h1-4,11,17H,5-9H2
InChIKey
DDRXKFUYYZOXFH-UHFFFAOYSA-N
Compound name
4-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

259.1184 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.12568 157.4
[M+Na]+ 282.10762 162.4
[M-H]- 258.11112 156.3
[M+NH4]+ 277.15222 171.6
[M+K]+ 298.08156 157.9
[M+H-H2O]+ 242.11566 147.1
[M+HCOO]- 304.11660 170.3
[M+CH3COO]- 318.13225 191.1
[M+Na-2H]- 280.09307 160.6
[M]+ 259.11785 148.2
[M]- 259.11895 148.2
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