CID 11126406

1-benzofuran-7-carbaldehyde

Structural Information

Molecular Formula
C9H6O2
SMILES
C1=CC2=C(C(=C1)C=O)OC=C2
InChI
InChI=1S/C9H6O2/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-6H
InChIKey
RGPUSZZTRKTMNA-UHFFFAOYSA-N
Compound name
1-benzofuran-7-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1151
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

No literature data available for this compound.

Patent stripe

patents stripe