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

64
Patents

259.1184 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.125676 157.4
[M+Na]+ 282.107618 162.4
[M-H]- 258.111124 156.3
[M+NH4]+ 277.152223 171.6
[M+K]+ 298.081558 157.9
[M+H-H2O]+ 242.115660 147.1
[M+HCOO]- 304.116601 170.3
[M+CH3COO]- 318.132251 191.1
[M+Na-2H]- 280.093066 160.6
[M]+ 259.11785142 148.2
[M]- 259.11894858 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