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

literature stripe

Patent stripe

patents stripe