CID 11999998

4-fluorocyclohexane-1-carboxylic acid

Structural Information

Molecular Formula

C₇H₁₁FO₂

SMILES

C1CC(CCC1C(=O)O)F

InChI

InChI=1S/C7H11FO2/c8-6-3-1-5(2-4-6)7(9)10/h5-6H,1-4H2,(H,9,10)

InChIKey

IUMDEBKXOXPBEX-UHFFFAOYSA-N

Compound name

4-fluorocyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 80
Patents: 146.07431 Da
Monoisotopic Mass: 1.4
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]+	147.08159	128.5
[M+Na]+	169.06353	134.2
[M-H]-	145.06703	129.0
[M+NH4]+	164.10813	149.0
[M+K]+	185.03747	133.1
[M+H-H2O]+	129.07157	122.8
[M+HCOO]-	191.07251	146.5
[M+CH3COO]-	205.08816	171.5
[M+Na-2H]-	167.04898	131.8
[M]+	146.07376	122.2
[M]-	146.07486	122.2

Literature stripe

literature stripe

Patent stripe

patents stripe