CID 58908478

2,2-difluorobut-3-en-1-ol

Structural Information

Molecular Formula
C4H6F2O
SMILES
C=CC(CO)(F)F
InChI
InChI=1S/C4H6F2O/c1-2-4(5,6)3-7/h2,7H,1,3H2
InChIKey
FRIPDNZTJSUONV-UHFFFAOYSA-N
Compound name
2,2-difluorobut-3-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

108.03867 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.04595 121.7
[M+Na]+ 131.02789 130.3
[M+NH4]+ 126.07249 128.2
[M+K]+ 147.00183 125.8
[M-H]- 107.03139 117.5
[M+Na-2H]- 129.01334 124.4
[M]+ 108.03812 121.4
[M]- 108.03922 121.4
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