CID 88838

21251-97-8

Structural Information

Molecular Formula
C19H16O
SMILES
C1=CC=C(C=C1)CC2=C(C=CC(=C2)C3=CC=CC=C3)O
InChI
InChI=1S/C19H16O/c20-19-12-11-17(16-9-5-2-6-10-16)14-18(19)13-15-7-3-1-4-8-15/h1-12,14,20H,13H2
InChIKey
YZCWXIRNXBSTTB-UHFFFAOYSA-N
Compound name
2-benzyl-4-phenylphenol
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 160.1
[M+Na]+ 283.10934 167.3
[M-H]- 259.11284 168.5
[M+NH4]+ 278.15394 175.7
[M+K]+ 299.08328 161.2
[M+H-H2O]+ 243.11738 151.7
[M+HCOO]- 305.11832 182.8
[M+CH3COO]- 319.13397 172.0
[M+Na-2H]- 281.09479 166.0
[M]+ 260.11957 158.5
[M]- 260.12067 158.5
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