CID 87197700

1,1-diethoxy-4,4-difluorobut-2-yne

Structural Information

Molecular Formula

C₈H₁₂F₂O₂

SMILES

CCOC(C#CC(F)F)OCC

InChI

InChI=1S/C8H12F2O2/c1-3-11-8(12-4-2)6-5-7(9)10/h7-8H,3-4H2,1-2H3

InChIKey

WQXFQPGUWVDSLW-UHFFFAOYSA-N

Compound name

1,1-diethoxy-4,4-difluorobut-2-yne

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 178.08054 Da
Monoisotopic Mass: 1.7
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]+	179.08782	139.1
[M+Na]+	201.06976	147.5
[M+NH4]+	196.11436	141.6
[M+K]+	217.04370	139.6
[M-H]-	177.07326	127.5
[M+Na-2H]-	199.05521	138.2
[M]+	178.07999	135.9
[M]-	178.08109	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe