CID 586366

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

Structural Information

Molecular Formula
C14H11ClO3
SMILES
C1=CC(=CC=C1CC(=O)C2=C(C=C(C=C2)O)O)Cl
InChI
InChI=1S/C14H11ClO3/c15-10-3-1-9(2-4-10)7-13(17)12-6-5-11(16)8-14(12)18/h1-6,8,16,18H,7H2
InChIKey
OOSNDHMLIFRVBM-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-1-(2,4-dihydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

18
Patents

262.03967 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.04695 154.0
[M+Na]+ 285.02889 163.3
[M-H]- 261.03239 158.7
[M+NH4]+ 280.07349 170.4
[M+K]+ 301.00283 157.5
[M+H-H2O]+ 245.03693 148.4
[M+HCOO]- 307.03787 170.8
[M+CH3COO]- 321.05352 190.4
[M+Na-2H]- 283.01434 157.5
[M]+ 262.03912 155.9
[M]- 262.04022 155.9
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