CID 45260

Methylene bisfluoroacetate

Structural Information

Molecular Formula

C₅H₆F₂O₄

SMILES

C(C(=O)OCF)C(=O)OCF

InChI

InChI=1S/C5H6F2O4/c6-2-10-4(8)1-5(9)11-3-7/h1-3H2

InChIKey

JVHROOASFGOKFF-UHFFFAOYSA-N

Compound name

bis(fluoromethyl) propanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 168.02342 Da
Monoisotopic Mass: 1.1
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]+	169.030696	128.1
[M+Na]+	191.012638	136.0
[M-H]-	167.016144	125.9
[M+NH4]+	186.057243	148.4
[M+K]+	206.986578	136.8
[M+H-H2O]+	151.020680	121.6
[M+HCOO]-	213.021621	149.6
[M+CH3COO]-	227.037271	176.1
[M+Na-2H]-	188.998086	132.2
[M]+	168.02287142	129.6
[M]-	168.02396858	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe