CID 103517314

Refchem:409892

Structural Information

Molecular Formula
C4H4F2O
SMILES
C#CC(C(F)F)O
InChI
InChI=1S/C4H4F2O/c1-2-3(7)4(5)6/h1,3-4,7H
InChIKey
HIZSFCLDCNRTLD-UHFFFAOYSA-N
Compound name
1,1-difluorobut-3-yn-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

106.02302 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.03030 113.3
[M+Na]+ 129.01224 122.7
[M-H]- 105.01574 109.7
[M+NH4]+ 124.05684 133.0
[M+K]+ 144.98618 121.6
[M+H-H2O]+ 89.020280 102.0
[M+HCOO]- 151.02122 127.4
[M+CH3COO]- 165.03687 175.7
[M+Na-2H]- 126.99769 117.1
[M]+ 106.02247 104.2
[M]- 106.02357 104.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe