CID 1216966

1-benzofuran-2-yl-(4-phenylphenyl)methanone

Structural Information

Molecular Formula
C21H14O2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C3=CC4=CC=CC=C4O3
InChI
InChI=1S/C21H14O2/c22-21(20-14-18-8-4-5-9-19(18)23-20)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-14H
InChIKey
XZETVKAQXMPVDF-UHFFFAOYSA-N
Compound name
1-benzofuran-2-yl-(4-phenylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

298.09937 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.10665 168.8
[M+Na]+ 321.08859 177.9
[M-H]- 297.09209 180.7
[M+NH4]+ 316.13319 184.8
[M+K]+ 337.06253 173.3
[M+H-H2O]+ 281.09663 160.6
[M+HCOO]- 343.09757 192.6
[M+CH3COO]- 357.11322 181.7
[M+Na-2H]- 319.07404 174.4
[M]+ 298.09882 171.3
[M]- 298.09992 171.3
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

patents stripe