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]+ 349.143446 182.9
[M+Na]+ 371.125388 188.3
[M-H]- 347.128894 189.9
[M+NH4]+ 366.169993 193.9
[M+K]+ 387.099328 183.6
[M+H-H2O]+ 331.133430 173.8
[M+HCOO]- 393.134371 201.7
[M+CH3COO]- 407.150021 209.2
[M+Na-2H]- 369.110836 183.7
[M]+ 348.13562142 183.1
[M]- 348.13671858 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.