CID 20262752

1-propanone, 1,1'-(oxydi-4,1-phenylene)bis[2-hydroxy-2-methyl-

Structural Information

Molecular Formula
C20H22O5
SMILES
CC(C)(C(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)C(C)(C)O)O
InChI
InChI=1S/C20H22O5/c1-19(2,23)17(21)13-5-9-15(10-6-13)25-16-11-7-14(8-12-16)18(22)20(3,4)24/h5-12,23-24H,1-4H3
InChIKey
LYGZOGDWCOYSGJ-UHFFFAOYSA-N
Compound name
2-hydroxy-1-[4-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]phenyl]-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1747
Patents

342.14673 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15401 178.5
[M+Na]+ 365.13595 183.6
[M-H]- 341.13945 182.5
[M+NH4]+ 360.18055 190.1
[M+K]+ 381.10989 181.1
[M+H-H2O]+ 325.14399 171.7
[M+HCOO]- 387.14493 194.0
[M+CH3COO]- 401.16058 208.7
[M+Na-2H]- 363.12140 181.1
[M]+ 342.14618 180.4
[M]- 342.14728 180.4
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