CID 592738

2-(4-chlorophenyl)-1-(2,4,6-trihydroxyphenyl)ethanone

Structural Information

Molecular Formula
C14H11ClO4
SMILES
C1=CC(=CC=C1CC(=O)C2=C(C=C(C=C2O)O)O)Cl
InChI
InChI=1S/C14H11ClO4/c15-9-3-1-8(2-4-9)5-11(17)14-12(18)6-10(16)7-13(14)19/h1-4,6-7,16,18-19H,5H2
InChIKey
POUZLUJYBWGJJO-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

278.03458 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.04186 158.8
[M+Na]+ 301.02380 173.2
[M+NH4]+ 296.06840 166.0
[M+K]+ 316.99774 167.1
[M-H]- 277.02730 161.2
[M+Na-2H]- 299.00925 165.6
[M]+ 278.03403 161.7
[M]- 278.03513 161.7
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