CID 105430899

1780235-13-3

Structural Information

Molecular Formula

C₈H₁₁FO₂

SMILES

C1CCC(=CC1)C(C(=O)O)F

InChI

InChI=1S/C8H11FO2/c9-7(8(10)11)6-4-2-1-3-5-6/h4,7H,1-3,5H2,(H,10,11)

InChIKey

ONCOJDOHJGOFHO-UHFFFAOYSA-N

Compound name

2-(cyclohexen-1-yl)-2-fluoroacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 158.07431 Da
Monoisotopic Mass: 2.0
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]+	159.08159	133.8
[M+Na]+	181.06353	143.0
[M+NH4]+	176.10813	141.3
[M+K]+	197.03747	138.4
[M-H]-	157.06703	133.1
[M+Na-2H]-	179.04898	137.8
[M]+	158.07376	134.6
[M]-	158.07486	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.