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
2
Annotation Hits

0
References

9
Patents

266.13068 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.137956 164.4
[M+Na]+ 289.119898 168.4
[M-H]- 265.123404 167.4
[M+NH4]+ 284.164503 178.7
[M+K]+ 305.093838 162.7
[M+H-H2O]+ 249.127940 157.0
[M+HCOO]- 311.128881 183.2
[M+CH3COO]- 325.144531 191.8
[M+Na-2H]- 287.105346 166.9
[M]+ 266.13013142 161.1
[M]- 266.13122858 161.1
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