CID 73945

379-95-3

Structural Information

Molecular Formula

C₅H₆F₂O₄

SMILES

COC(=O)C(C(=O)OC)(F)F

InChI

InChI=1S/C5H6F2O4/c1-10-3(8)5(6,7)4(9)11-2/h1-2H3

InChIKey

NHTZDSRSPCFQCJ-UHFFFAOYSA-N

Compound name

dimethyl 2,2-difluoropropanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 168.02342 Da
Monoisotopic Mass: 0.2
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]+	169.030696	127.2
[M+Na]+	191.012638	135.6
[M-H]-	167.016144	125.4
[M+NH4]+	186.057243	147.7
[M+K]+	206.986578	136.8
[M+H-H2O]+	151.020680	121.5
[M+HCOO]-	213.021621	147.1
[M+CH3COO]-	227.037271	176.4
[M+Na-2H]-	188.998086	132.2
[M]+	168.02287142	128.2
[M]-	168.02396858	128.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe