CID 75512

2,6-diphenylphenol

Structural Information

Molecular Formula
C18H14O
SMILES
C1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC=CC=C3)O
InChI
InChI=1S/C18H14O/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15/h1-13,19H
InChIKey
ATGFTMUSEPZNJD-UHFFFAOYSA-N
Compound name
2,6-diphenylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

4755
Patents

246.10446 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.11174 155.5
[M+Na]+ 269.09368 163.2
[M-H]- 245.09718 164.1
[M+NH4]+ 264.13828 171.6
[M+K]+ 285.06762 157.3
[M+H-H2O]+ 229.10172 147.3
[M+HCOO]- 291.10266 178.5
[M+CH3COO]- 305.11831 167.9
[M+Na-2H]- 267.07913 162.0
[M]+ 246.10391 153.5
[M]- 246.10501 153.5
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