CID 52426

Carbonic acid, diester with 4'-hydroxyacetophenone

Structural Information

Molecular Formula
C17H14O5
SMILES
CC(=O)C1=CC=C(C=C1)OC(=O)OC2=CC=C(C=C2)C(=O)C
InChI
InChI=1S/C17H14O5/c1-11(18)13-3-7-15(8-4-13)21-17(20)22-16-9-5-14(6-10-16)12(2)19/h3-10H,1-2H3
InChIKey
HCENCLWAKGYVIF-UHFFFAOYSA-N
Compound name
bis(4-acetylphenyl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

807
Patents

298.08414 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09142 165.8
[M+Na]+ 321.07336 178.6
[M+NH4]+ 316.11796 171.9
[M+K]+ 337.04730 173.5
[M-H]- 297.07686 168.1
[M+Na-2H]- 319.05881 172.8
[M]+ 298.08359 168.1
[M]- 298.08469 168.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe