CID 155822462

2503204-82-6

Structural Information

Molecular Formula

C₇H₁₀F₂O₃

SMILES

COC(=O)C1(CC(C1)(F)F)CO

InChI

InChI=1S/C7H10F2O3/c1-12-5(11)6(4-10)2-7(8,9)3-6/h10H,2-4H2,1H3

InChIKey

GXZBUAHINOAYAG-UHFFFAOYSA-N

Compound name

methyl 3,3-difluoro-1-(hydroxymethyl)cyclobutane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 180.0598 Da
Monoisotopic Mass: 0.4
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]+	181.067076	135.8
[M+Na]+	203.049018	143.1
[M-H]-	179.052524	136.2
[M+NH4]+	198.093623	152.6
[M+K]+	219.022958	145.2
[M+H-H2O]+	163.057060	127.1
[M+HCOO]-	225.058001	153.8
[M+CH3COO]-	239.073651	180.2
[M+Na-2H]-	201.034466	140.7
[M]+	180.05925142	142.9
[M]-	180.06034858	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.