CID 2773875

1-benzofuran-5-carbaldehyde

Structural Information

Molecular Formula
C9H6O2
SMILES
C1=CC2=C(C=CO2)C=C1C=O
InChI
InChI=1S/C9H6O2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-6H
InChIKey
LLLBDLDNTMMZHL-UHFFFAOYSA-N
Compound name
1-benzofuran-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

613
Patents

146.03677 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.04405 124.1
[M+Na]+ 169.02599 138.9
[M+NH4]+ 164.07059 134.0
[M+K]+ 184.99993 133.9
[M-H]- 145.02949 128.2
[M+Na-2H]- 167.01144 131.8
[M]+ 146.03622 127.5
[M]- 146.03732 127.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe