CID 21649

1,3-diphenylisobenzofuran

Structural Information

Molecular Formula
C20H14O
SMILES
C1=CC=C(C=C1)C2=C3C=CC=CC3=C(O2)C4=CC=CC=C4
InChI
InChI=1S/C20H14O/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)16-11-5-2-6-12-16/h1-14H
InChIKey
ZKSVYBRJSMBDMV-UHFFFAOYSA-N
Compound name
1,3-diphenyl-2-benzofuran
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

96
References

3320
Patents

270.10446 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.111736 160.9
[M+Na]+ 293.093678 170.8
[M-H]- 269.097184 172.9
[M+NH4]+ 288.138283 178.4
[M+K]+ 309.067618 165.7
[M+H-H2O]+ 253.101720 153.0
[M+HCOO]- 315.102661 185.8
[M+CH3COO]- 329.118311 174.6
[M+Na-2H]- 291.079126 168.2
[M]+ 270.10391142 163.1
[M]- 270.10500858 163.1
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