CID 4118314

2-(4-chlorophenyl)-1-(2-hydroxy-4-methoxyphenyl)ethanone

Structural Information

Molecular Formula
C15H13ClO3
SMILES
COC1=CC(=C(C=C1)C(=O)CC2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C15H13ClO3/c1-19-12-6-7-13(15(18)9-12)14(17)8-10-2-4-11(16)5-3-10/h2-7,9,18H,8H2,1H3
InChIKey
PWMHGPSGTXAELI-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-1-(2-hydroxy-4-methoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.05533 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.06261 158.4
[M+Na]+ 299.04455 167.6
[M-H]- 275.04805 164.3
[M+NH4]+ 294.08915 174.9
[M+K]+ 315.01849 162.5
[M+H-H2O]+ 259.05259 152.2
[M+HCOO]- 321.05353 176.3
[M+CH3COO]- 335.06918 195.8
[M+Na-2H]- 297.03000 161.8
[M]+ 276.05478 162.4
[M]- 276.05588 162.4
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

No patent data available for this compound.