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

206
Patents

314.1518 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.15908 175.0
[M+Na]+ 337.14102 180.5
[M-H]- 313.14452 178.8
[M+NH4]+ 332.18562 188.0
[M+K]+ 353.11496 176.7
[M+H-H2O]+ 297.14906 167.7
[M+HCOO]- 359.15000 193.1
[M+CH3COO]- 373.16565 202.3
[M+Na-2H]- 335.12647 177.8
[M]+ 314.15125 176.7
[M]- 314.15235 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