CID 67834

Diethyl tetrafluorosuccinate

Structural Information

Molecular Formula

C₈H₁₀F₄O₄

SMILES

CCOC(=O)C(C(C(=O)OCC)(F)F)(F)F

InChI

InChI=1S/C8H10F4O4/c1-3-15-5(13)7(9,10)8(11,12)6(14)16-4-2/h3-4H2,1-2H3

InChIKey

BLZSSBPZHBFNBN-UHFFFAOYSA-N

Compound name

diethyl 2,2,3,3-tetrafluorobutanedioate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 111
Patents: 246.05153 Da
Monoisotopic Mass: 2.1
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]+	247.05881	145.7
[M+Na]+	269.04075	153.3
[M-H]-	245.04425	140.9
[M+NH4]+	264.08535	162.9
[M+K]+	285.01469	153.4
[M+H-H2O]+	229.04879	138.1
[M+HCOO]-	291.04973	161.0
[M+CH3COO]-	305.06538	191.5
[M+Na-2H]-	267.02620	149.0
[M]+	246.05098	144.6
[M]-	246.05208	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe