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]+ 105.071016 119.3
[M+Na]+ 127.052958 126.7
[M-H]- 103.056464 117.1
[M+NH4]+ 122.097563 141.8
[M+K]+ 143.026898 125.8
[M+H-H2O]+ 87.061000 114.6
[M+HCOO]- 149.061941 140.3
[M+CH3COO]- 163.077591 165.4
[M+Na-2H]- 125.038406 124.7
[M]+ 104.06319142 117.1
[M]- 104.06428858 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.