CID 2066126

2-(4-chlorophenoxy)-1-(2,4-dihydroxyphenyl)ethanone

Structural Information

Molecular Formula
C14H11ClO4
SMILES
C1=CC(=CC=C1OCC(=O)C2=C(C=C(C=C2)O)O)Cl
InChI
InChI=1S/C14H11ClO4/c15-9-1-4-11(5-2-9)19-8-14(18)12-6-3-10(16)7-13(12)17/h1-7,16-17H,8H2
InChIKey
DDBGVQHDFCGXGM-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)-1-(2,4-dihydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

2
Patents

278.03458 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.041856 156.8
[M+Na]+ 301.023798 165.8
[M-H]- 277.027304 161.5
[M+NH4]+ 296.068403 172.4
[M+K]+ 316.997738 160.8
[M+H-H2O]+ 261.031840 150.9
[M+HCOO]- 323.032781 173.7
[M+CH3COO]- 337.048431 192.6
[M+Na-2H]- 299.009246 160.3
[M]+ 278.03403142 160.1
[M]- 278.03512858 160.1
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