CID 113216

Ethyl 2-(bis(4-hydroxyphenyl)methyl)benzoate

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 182.9
[M+Na]+ 371.12539 188.3
[M-H]- 347.12889 189.9
[M+NH4]+ 366.16999 193.9
[M+K]+ 387.09933 183.6
[M+H-H2O]+ 331.13343 173.8
[M+HCOO]- 393.13437 201.7
[M+CH3COO]- 407.15002 209.2
[M+Na-2H]- 369.11084 183.7
[M]+ 348.13562 183.1
[M]- 348.13672 183.1
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

No patent data available for this compound.