CID 21323021

Ethyl 2,2-difluorobut-3-enoate

Structural Information

Molecular Formula

C₆H₈F₂O₂

SMILES

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

InChI

InChI=1S/C6H8F2O2/c1-3-6(7,8)5(9)10-4-2/h3H,1,4H2,2H3

InChIKey

OVWQFUKZGPMXAF-UHFFFAOYSA-N

Compound name

ethyl 2,2-difluorobut-3-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 150.04924 Da
Monoisotopic Mass: 1.5
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]+	151.056516	126.4
[M+Na]+	173.038458	134.7
[M-H]-	149.041964	124.4
[M+NH4]+	168.083063	147.8
[M+K]+	189.012398	134.2
[M+H-H2O]+	133.046500	120.9
[M+HCOO]-	195.047441	146.6
[M+CH3COO]-	209.063091	175.2
[M+Na-2H]-	171.023906	132.0
[M]+	150.04869142	125.6
[M]-	150.04978858	125.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe