CID 71669000

1267028-24-9

Structural Information

Molecular Formula

C₁₃H₁₅FO₃

SMILES

C1CCC(CC1)(C(=O)O)OC2=CC=C(C=C2)F

InChI

InChI=1S/C13H15FO3/c14-10-4-6-11(7-5-10)17-13(12(15)16)8-2-1-3-9-13/h4-7H,1-3,8-9H2,(H,15,16)

InChIKey

HITRZZZFVXSGMW-UHFFFAOYSA-N

Compound name

1-(4-fluorophenoxy)cyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 238.10052 Da
Monoisotopic Mass: 3.2
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]+	239.107796	152.3
[M+Na]+	261.089738	157.7
[M-H]-	237.093244	155.8
[M+NH4]+	256.134343	170.6
[M+K]+	277.063678	155.1
[M+H-H2O]+	221.097780	145.0
[M+HCOO]-	283.098721	170.0
[M+CH3COO]-	297.114371	187.0
[M+Na-2H]-	259.075186	156.0
[M]+	238.09997142	147.5
[M]-	238.10106858	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe