CID 13447948

700-62-9

Structural Information

Molecular Formula

C₈H₁₁FO₂

SMILES

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

InChI

InChI=1S/C8H11FO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H2,(H,10,11)

InChIKey

PEWOTSOYGQEXDI-UHFFFAOYSA-N

Compound name

2-cyclohexylidene-2-fluoroacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 158.07431 Da
Monoisotopic Mass: 2.1
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	132.8
[M+Na]+	181.06353	137.2
[M-H]-	157.06703	132.8
[M+NH4]+	176.10813	152.4
[M+K]+	197.03747	135.7
[M+H-H2O]+	141.07157	126.8
[M+HCOO]-	203.07251	149.6
[M+CH3COO]-	217.08816	172.8
[M+Na-2H]-	179.04898	134.9
[M]+	158.07376	125.0
[M]-	158.07486	125.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe