CID 379493

Nsc664154

Structural Information

Molecular Formula
C20H18O2
SMILES
C1=CC=C(C=C1)CC2=CC(=C(C=C2CC3=CC=CC=C3)O)O
InChI
InChI=1S/C20H18O2/c21-19-13-17(11-15-7-3-1-4-8-15)18(14-20(19)22)12-16-9-5-2-6-10-16/h1-10,13-14,21-22H,11-12H2
InChIKey
SQDMOCPHIXUCCE-UHFFFAOYSA-N
Compound name
4,5-dibenzylbenzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

290.13068 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13796 168.3
[M+Na]+ 313.11990 175.4
[M-H]- 289.12340 175.5
[M+NH4]+ 308.16450 182.2
[M+K]+ 329.09384 169.0
[M+H-H2O]+ 273.12794 159.8
[M+HCOO]- 335.12888 189.3
[M+CH3COO]- 349.14453 179.3
[M+Na-2H]- 311.10535 172.5
[M]+ 290.13013 167.0
[M]- 290.13123 167.0
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

No patent data available for this compound.