CID 59702450

Methyl 3-fluoro-2,2-dimethylpropanoate

Structural Information

Molecular Formula

C₆H₁₁FO₂

SMILES

CC(C)(CF)C(=O)OC

InChI

InChI=1S/C6H11FO2/c1-6(2,4-7)5(8)9-3/h4H2,1-3H3

InChIKey

YZUZRXGMHIZNGK-UHFFFAOYSA-N

Compound name

methyl 3-fluoro-2,2-dimethylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 134.07431 Da
Monoisotopic Mass: 1.3
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]+	135.08159	125.4
[M+Na]+	157.06353	133.4
[M-H]-	133.06703	124.9
[M+NH4]+	152.10813	147.7
[M+K]+	173.03747	134.0
[M+H-H2O]+	117.07157	120.9
[M+HCOO]-	179.07251	146.4
[M+CH3COO]-	193.08816	173.4
[M+Na-2H]-	155.04898	131.6
[M]+	134.07376	126.6
[M]-	134.07486	126.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe