CID 22368342

3-fluorofuran-2-carbaldehyde

Structural Information

Molecular Formula
C5H3FO2
SMILES
C1=COC(=C1F)C=O
InChI
InChI=1S/C5H3FO2/c6-4-1-2-8-5(4)3-7/h1-3H
InChIKey
ITNMHEWGAJPBJR-UHFFFAOYSA-N
Compound name
3-fluorofuran-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

114.01171 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.01899 113.8
[M+Na]+ 137.00093 124.2
[M-H]- 113.00443 117.6
[M+NH4]+ 132.04553 137.2
[M+K]+ 152.97487 124.5
[M+H-H2O]+ 97.008970 108.7
[M+HCOO]- 159.00991 139.2
[M+CH3COO]- 173.02556 166.2
[M+Na-2H]- 134.98638 121.8
[M]+ 114.01116 115.0
[M]- 114.01226 115.0
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