CID 14855882

4,4-difluorobut-3-en-1-ol

Structural Information

Molecular Formula
C4H6F2O
SMILES
C(CO)C=C(F)F
InChI
InChI=1S/C4H6F2O/c5-4(6)2-1-3-7/h2,7H,1,3H2
InChIKey
ZCSILCHJOKWNLB-UHFFFAOYSA-N
Compound name
4,4-difluorobut-3-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

133
Patents

108.03867 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.04595 117.0
[M+Na]+ 131.02789 124.8
[M-H]- 107.03139 113.5
[M+NH4]+ 126.07249 139.2
[M+K]+ 147.00183 123.7
[M+H-H2O]+ 91.035930 111.4
[M+HCOO]- 153.03687 137.3
[M+CH3COO]- 167.05252 165.1
[M+Na-2H]- 129.01334 122.3
[M]+ 108.03812 113.1
[M]- 108.03922 113.1
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