CID 82417665

1,3-dihydro-2-benzofuran-4-carbaldehyde

Structural Information

Molecular Formula
C9H8O2
SMILES
C1C2=C(CO1)C(=CC=C2)C=O
InChI
InChI=1S/C9H8O2/c10-4-7-2-1-3-8-5-11-6-9(7)8/h1-4H,5-6H2
InChIKey
MEJDETFUHZQRDV-UHFFFAOYSA-N
Compound name
1,3-dihydro-2-benzofuran-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

148.05243 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.05971 126.0
[M+Na]+ 171.04165 135.2
[M-H]- 147.04515 131.5
[M+NH4]+ 166.08625 149.1
[M+K]+ 187.01559 134.2
[M+H-H2O]+ 131.04969 121.3
[M+HCOO]- 193.05063 149.6
[M+CH3COO]- 207.06628 173.3
[M+Na-2H]- 169.02710 134.3
[M]+ 148.05188 127.2
[M]- 148.05298 127.2
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