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

50
Patents

193.12668 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.13396 143.0
[M+Na]+ 216.11590 149.0
[M-H]- 192.11940 145.1
[M+NH4]+ 211.16050 160.4
[M+K]+ 232.08984 144.7
[M+H-H2O]+ 176.12394 134.9
[M+HCOO]- 238.12488 159.9
[M+CH3COO]- 252.14053 182.0
[M+Na-2H]- 214.10135 146.7
[M]+ 193.12613 135.4
[M]- 193.12723 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