CID 82414996

1467246-75-8

Structural Information

Molecular Formula
C9H5FO2
SMILES
C1=CC2=C(C=C(O2)C=O)C(=C1)F
InChI
InChI=1S/C9H5FO2/c10-8-2-1-3-9-7(8)4-6(5-11)12-9/h1-5H
InChIKey
APYKNKZLJBHVBS-UHFFFAOYSA-N
Compound name
4-fluoro-1-benzofuran-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

164.02736 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.034636 125.5
[M+Na]+ 187.016578 137.7
[M-H]- 163.020084 130.7
[M+NH4]+ 182.061183 148.4
[M+K]+ 202.990518 135.9
[M+H-H2O]+ 147.024620 120.0
[M+HCOO]- 209.025561 151.0
[M+CH3COO]- 223.041211 176.6
[M+Na-2H]- 185.002026 134.5
[M]+ 164.02681142 129.0
[M]- 164.02790858 129.0
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