CID 71654

Fenocinol

Structural Information

Molecular Formula
C16H18O3
SMILES
CC(C1=CC=CC=C1)(C2=C(C=C(C=C2)OC)OC)O
InChI
InChI=1S/C16H18O3/c1-16(17,12-7-5-4-6-8-12)14-10-9-13(18-2)11-15(14)19-3/h4-11,17H,1-3H3
InChIKey
WQFUGXLJDDEHRM-UHFFFAOYSA-N
Compound name
1-(2,4-dimethoxyphenyl)-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

258.12558 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.132856 159.0
[M+Na]+ 281.114798 166.4
[M-H]- 257.118304 164.7
[M+NH4]+ 276.159403 175.3
[M+K]+ 297.088738 163.5
[M+H-H2O]+ 241.122840 152.0
[M+HCOO]- 303.123781 180.3
[M+CH3COO]- 317.139431 194.3
[M+Na-2H]- 279.100246 164.9
[M]+ 258.12503142 161.5
[M]- 258.12612858 161.5
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.