CID 57945287

1027708-67-3

Structural Information

Molecular Formula

C₈H₁₃FO₂

SMILES

CC1(CCC(CC1)C(=O)O)F

InChI

InChI=1S/C8H13FO2/c1-8(9)4-2-6(3-5-8)7(10)11/h6H,2-5H2,1H3,(H,10,11)

InChIKey

KYKZTTVYWGGUFB-UHFFFAOYSA-N

Compound name

4-fluoro-4-methylcyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 160.08995 Da
Monoisotopic Mass: 1.6
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]+	161.097226	132.7
[M+Na]+	183.079168	138.9
[M-H]-	159.082674	133.4
[M+NH4]+	178.123773	154.7
[M+K]+	199.053108	137.8
[M+H-H2O]+	143.087210	127.8
[M+HCOO]-	205.088151	150.3
[M+CH3COO]-	219.103801	174.1
[M+Na-2H]-	181.064616	136.6
[M]+	160.08940142	127.1
[M]-	160.09049858	127.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe