CID 24904362

2361724-12-9

Structural Information

Molecular Formula
C13H16FNO2
SMILES
COC(=O)C1=CC(=C(C=C1)C2CCNCC2)F
InChI
InChI=1S/C13H16FNO2/c1-17-13(16)10-2-3-11(12(14)8-10)9-4-6-15-7-5-9/h2-3,8-9,15H,4-7H2,1H3
InChIKey
IERHLHAKTGPWQJ-UHFFFAOYSA-N
Compound name
methyl 3-fluoro-4-piperidin-4-ylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.1165 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.12378 153.2
[M+Na]+ 260.10572 158.6
[M-H]- 236.10922 155.1
[M+NH4]+ 255.15032 168.5
[M+K]+ 276.07966 155.1
[M+H-H2O]+ 220.11376 144.6
[M+HCOO]- 282.11470 169.3
[M+CH3COO]- 296.13035 188.5
[M+Na-2H]- 258.09117 155.1
[M]+ 237.11595 147.4
[M]- 237.11705 147.4
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

No patent data available for this compound.