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]+ 299.106646 168.8
[M+Na]+ 321.088588 177.9
[M-H]- 297.092094 180.7
[M+NH4]+ 316.133193 184.8
[M+K]+ 337.062528 173.3
[M+H-H2O]+ 281.096630 160.6
[M+HCOO]- 343.097571 192.6
[M+CH3COO]- 357.113221 181.7
[M+Na-2H]- 319.074036 174.4
[M]+ 298.09882142 171.3
[M]- 298.09991858 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