CID 15930162

4-fluoro-3-methylbut-2-en-1-ol

Structural Information

Molecular Formula
C5H9FO
SMILES
C/C(=C\CO)/CF
InChI
InChI=1S/C5H9FO/c1-5(4-6)2-3-7/h2,7H,3-4H2,1H3/b5-2+
InChIKey
AMGCWLDRGIJPGL-GORDUTHDSA-N
Compound name
(E)-4-fluoro-3-methylbut-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

104.06374 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.07102 119.3
[M+Na]+ 127.05296 126.7
[M-H]- 103.05646 117.1
[M+NH4]+ 122.09756 141.8
[M+K]+ 143.02690 125.8
[M+H-H2O]+ 87.061000 114.6
[M+HCOO]- 149.06194 140.3
[M+CH3COO]- 163.07759 165.4
[M+Na-2H]- 125.03841 124.7
[M]+ 104.06319 117.1
[M]- 104.06429 117.1
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

No patent data available for this compound.