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

655
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 123.1
[M+Na]+ 169.02599 134.4
[M-H]- 145.02949 129.4
[M+NH4]+ 164.07059 146.5
[M+K]+ 184.99993 133.1
[M+H-H2O]+ 129.03403 118.5
[M+HCOO]- 191.03497 149.7
[M+CH3COO]- 205.05062 172.7
[M+Na-2H]- 167.01144 133.4
[M]+ 146.03622 127.3
[M]- 146.03732 127.3
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