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

47
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 116.4
[M+Na]+ 131.02789 124.8
[M-H]- 107.03139 113.1
[M+NH4]+ 126.07249 138.7
[M+K]+ 147.00183 123.7
[M+H-H2O]+ 91.035930 111.4
[M+HCOO]- 153.03687 136.1
[M+CH3COO]- 167.05252 165.3
[M+Na-2H]- 129.01334 123.6
[M]+ 108.03812 112.8
[M]- 108.03922 112.8
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