CID 458155

Benzyl 3-bi-phenylyl ether

Structural Information

Molecular Formula
C19H16O
SMILES
C1=CC=C(C=C1)COC2=CC=CC(=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H16O/c1-3-8-16(9-4-1)15-20-19-13-7-12-18(14-19)17-10-5-2-6-11-17/h1-14H,15H2
InChIKey
LWWAIJLNWRCVBA-UHFFFAOYSA-N
Compound name
1-phenyl-3-phenylmethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

260.12012 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.12740 160.2
[M+Na]+ 283.10934 166.9
[M-H]- 259.11284 169.5
[M+NH4]+ 278.15394 176.1
[M+K]+ 299.08328 161.6
[M+H-H2O]+ 243.11738 151.2
[M+HCOO]- 305.11832 184.3
[M+CH3COO]- 319.13397 172.4
[M+Na-2H]- 281.09479 167.2
[M]+ 260.11957 159.9
[M]- 260.12067 159.9
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

patents stripe