CID 113216

63450-78-2

Structural Information

Molecular Formula
C22H20O4
SMILES
CCOC(=O)C1=CC=CC=C1C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O
InChI
InChI=1S/C22H20O4/c1-2-26-22(25)20-6-4-3-5-19(20)21(15-7-11-17(23)12-8-15)16-9-13-18(24)14-10-16/h3-14,21,23-24H,2H2,1H3
InChIKey
ICEYQDSJXDMZGH-UHFFFAOYSA-N
Compound name
ethyl 2-[bis(4-hydroxyphenyl)methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.13617 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.14345 184.0
[M+Na]+ 371.12539 198.8
[M+NH4]+ 366.16999 191.0
[M+K]+ 387.09933 191.4
[M-H]- 347.12889 189.3
[M+Na-2H]- 369.11084 193.3
[M]+ 348.13562 187.7
[M]- 348.13672 187.7
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

No patent data available for this compound.