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

8
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 164.4
[M+Na]+ 289.11990 168.4
[M-H]- 265.12340 167.4
[M+NH4]+ 284.16450 178.7
[M+K]+ 305.09384 162.7
[M+H-H2O]+ 249.12794 157.0
[M+HCOO]- 311.12888 183.2
[M+CH3COO]- 325.14453 191.8
[M+Na-2H]- 287.10535 166.9
[M]+ 266.13013 161.1
[M]- 266.13123 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