CID 247959

Ethyl 4,4-bis(4-hydroxyphenyl)valerate

Structural Information

Molecular Formula
C19H22O4
SMILES
CCOC(=O)CCC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
InChI
InChI=1S/C19H22O4/c1-3-23-18(22)12-13-19(2,14-4-8-16(20)9-5-14)15-6-10-17(21)11-7-15/h4-11,20-21H,3,12-13H2,1-2H3
InChIKey
UPOSGCJFXWMIAZ-UHFFFAOYSA-N
Compound name
ethyl 4,4-bis(4-hydroxyphenyl)pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

222
Patents

314.1518 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.159076 175.0
[M+Na]+ 337.141018 180.5
[M-H]- 313.144524 178.8
[M+NH4]+ 332.185623 188.0
[M+K]+ 353.114958 176.7
[M+H-H2O]+ 297.149060 167.7
[M+HCOO]- 359.150001 193.1
[M+CH3COO]- 373.165651 202.3
[M+Na-2H]- 335.126466 177.8
[M]+ 314.15125142 176.7
[M]- 314.15234858 176.7
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