CID 11389470

89424-83-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
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

literature stripe

Patent stripe

patents stripe