CID 62738342

645408-41-9

Structural Information

Molecular Formula

C₁₄H₁₇FO₂

SMILES

C1CCC(CC1)(CC2=CC=C(C=C2)F)C(=O)O

InChI

InChI=1S/C14H17FO2/c15-12-6-4-11(5-7-12)10-14(13(16)17)8-2-1-3-9-14/h4-7H,1-3,8-10H2,(H,16,17)

InChIKey

DPBLBGYOIQOWEV-UHFFFAOYSA-N

Compound name

1-[(4-fluorophenyl)methyl]cyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 236.12126 Da
Monoisotopic Mass: 3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	237.128536	153.8
[M+Na]+	259.110478	158.8
[M-H]-	235.113984	157.0
[M+NH4]+	254.155083	172.2
[M+K]+	275.084418	155.4
[M+H-H2O]+	219.118520	146.5
[M+HCOO]-	281.119461	170.9
[M+CH3COO]-	295.135111	187.9
[M+Na-2H]-	257.095926	156.8
[M]+	236.12071142	147.8
[M]-	236.12180858	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe