CID 3010578

Benzofuran, 2,2'-methylenebis-

Structural Information

Molecular Formula
C17H12O2
SMILES
C1=CC=C2C(=C1)C=C(O2)CC3=CC4=CC=CC=C4O3
InChI
InChI=1S/C17H12O2/c1-3-7-16-12(5-1)9-14(18-16)11-15-10-13-6-2-4-8-17(13)19-15/h1-10H,11H2
InChIKey
AKLKOVJMASEBGP-UHFFFAOYSA-N
Compound name
2-(1-benzofuran-2-ylmethyl)-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

248.08372 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.09100 151.8
[M+Na]+ 271.07294 164.1
[M-H]- 247.07644 163.3
[M+NH4]+ 266.11754 172.4
[M+K]+ 287.04688 161.3
[M+H-H2O]+ 231.08098 146.7
[M+HCOO]- 293.08192 177.8
[M+CH3COO]- 307.09757 167.3
[M+Na-2H]- 269.05839 160.1
[M]+ 248.08317 158.9
[M]- 248.08427 158.9
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

No patent data available for this compound.