CID 10329

2,3-dihydrobenzofuran

Structural Information

Molecular Formula
C8H8O
SMILES
C1COC2=CC=CC=C21
InChI
InChI=1S/C8H8O/c1-2-4-8-7(3-1)5-6-9-8/h1-4H,5-6H2
InChIKey
HBEDSQVIWPRPAY-UHFFFAOYSA-N
Compound name
2,3-dihydro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

104
References

83091
Patents

120.05752 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.064796 119.5
[M+Na]+ 143.046738 127.9
[M-H]- 119.050244 124.7
[M+NH4]+ 138.091343 143.5
[M+K]+ 159.020678 127.4
[M+H-H2O]+ 103.054780 114.8
[M+HCOO]- 165.055721 143.1
[M+CH3COO]- 179.071371 134.9
[M+Na-2H]- 141.032186 129.0
[M]+ 120.05697142 119.2
[M]- 120.05806858 119.2
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