CID 331833

15517-46-1

Structural Information

Molecular Formula
C20H14O4
SMILES
C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)O)C(=O)C3=CC=C(C=C3)O
InChI
InChI=1S/C20H14O4/c21-17-9-5-15(6-10-17)19(23)13-1-2-14(4-3-13)20(24)16-7-11-18(22)12-8-16/h1-12,21-22H
InChIKey
ADUODNZKKNUWBZ-UHFFFAOYSA-N
Compound name
[4-(4-hydroxybenzoyl)phenyl]-(4-hydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

400
Patents

318.0892 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.096476 172.4
[M+Na]+ 341.078418 179.0
[M-H]- 317.081924 179.8
[M+NH4]+ 336.123023 184.5
[M+K]+ 357.052358 174.0
[M+H-H2O]+ 301.086460 163.8
[M+HCOO]- 363.087401 192.1
[M+CH3COO]- 377.103051 203.3
[M+Na-2H]- 339.063866 174.3
[M]+ 318.08865142 171.3
[M]- 318.08974858 171.3
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