CID 50998426

186665-89-4

Structural Information

Molecular Formula

C₉H₁₄F₂O₂

SMILES

CCOC(=O)C1CCCCC1(F)F

InChI

InChI=1S/C9H14F2O2/c1-2-13-8(12)7-5-3-4-6-9(7,10)11/h7H,2-6H2,1H3

InChIKey

VATHLMFXMIPDCA-UHFFFAOYSA-N

Compound name

ethyl 2,2-difluorocyclohexane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 192.09619 Da
Monoisotopic Mass: 2.5
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]+	193.103466	139.5
[M+Na]+	215.085408	145.8
[M-H]-	191.088914	140.0
[M+NH4]+	210.130013	160.9
[M+K]+	231.059348	145.0
[M+H-H2O]+	175.093450	133.1
[M+HCOO]-	237.094391	157.3
[M+CH3COO]-	251.110041	181.9
[M+Na-2H]-	213.070856	142.8
[M]+	192.09564142	134.9
[M]-	192.09673858	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe