CID 99810

1,6-diphenylhexa-1,5-diene-3,4-diol

Structural Information

Molecular Formula
C18H18O2
SMILES
C1=CC=C(C=C1)C=CC(C(C=CC2=CC=CC=C2)O)O
InChI
InChI=1S/C18H18O2/c19-17(13-11-15-7-3-1-4-8-15)18(20)14-12-16-9-5-2-6-10-16/h1-14,17-20H
InChIKey
AVIIWHKOUNFPIY-UHFFFAOYSA-N
Compound name
1,6-diphenylhexa-1,5-diene-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

266.13068 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13796 165.4
[M+Na]+ 289.11990 178.0
[M+NH4]+ 284.16450 172.8
[M+K]+ 305.09384 170.3
[M-H]- 265.12340 168.5
[M+Na-2H]- 287.10535 173.0
[M]+ 266.13013 167.9
[M]- 266.13123 167.9
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