CID 46319

4,4'-biphenyldiol, 2,2'-diallyl-

Structural Information

Molecular Formula
C18H18O2
SMILES
C=CCC1=C(C=CC(=C1)O)C2=C(C=C(C=C2)O)CC=C
InChI
InChI=1S/C18H18O2/c1-3-5-13-11-15(19)7-9-17(13)18-10-8-16(20)12-14(18)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2
InChIKey
SQTKAXOZBSHYIE-UHFFFAOYSA-N
Compound name
4-(4-hydroxy-2-prop-2-enylphenyl)-3-prop-2-enylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

266.13068 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.137956 161.8
[M+Na]+ 289.119898 170.1
[M-H]- 265.123404 166.3
[M+NH4]+ 284.164503 177.5
[M+K]+ 305.093838 163.6
[M+H-H2O]+ 249.127940 155.0
[M+HCOO]- 311.128881 182.7
[M+CH3COO]- 325.144531 196.1
[M+Na-2H]- 287.105346 164.0
[M]+ 266.13013142 161.7
[M]- 266.13122858 161.7
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