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

835
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 165.2
[M+Na]+ 321.07336 172.1
[M-H]- 297.07686 172.2
[M+NH4]+ 316.11796 179.9
[M+K]+ 337.04730 170.5
[M+H-H2O]+ 281.08140 157.4
[M+HCOO]- 343.08234 187.3
[M+CH3COO]- 357.09799 202.5
[M+Na-2H]- 319.05881 166.9
[M]+ 298.08359 169.2
[M]- 298.08469 169.2
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