CID 17984859

4-(4-fluoro-2-methylphenyl)piperidine

Structural Information

Molecular Formula
C12H16FN
SMILES
CC1=C(C=CC(=C1)F)C2CCNCC2
InChI
InChI=1S/C12H16FN/c1-9-8-11(13)2-3-12(9)10-4-6-14-7-5-10/h2-3,8,10,14H,4-7H2,1H3
InChIKey
WRNBESYVLLWWFO-UHFFFAOYSA-N
Compound name
4-(4-fluoro-2-methylphenyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

193.12668 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.133956 143.0
[M+Na]+ 216.115898 149.0
[M-H]- 192.119404 145.1
[M+NH4]+ 211.160503 160.4
[M+K]+ 232.089838 144.7
[M+H-H2O]+ 176.123940 134.9
[M+HCOO]- 238.124881 159.9
[M+CH3COO]- 252.140531 182.0
[M+Na-2H]- 214.101346 146.7
[M]+ 193.12613142 135.4
[M]- 193.12722858 135.4
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