CID 689036

2-(4-chlorophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone

Structural Information

Molecular Formula
C16H15ClO4
SMILES
COC1=CC(=C(C(=C1)OC)C(=O)CC2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C16H15ClO4/c1-20-12-8-14(19)16(15(9-12)21-2)13(18)7-10-3-5-11(17)6-4-10/h3-6,8-9,19H,7H2,1-2H3
InChIKey
DYISXICBFOMHBD-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

306.0659 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.07318 165.3
[M+Na]+ 329.05512 174.8
[M-H]- 305.05862 171.4
[M+NH4]+ 324.09972 180.8
[M+K]+ 345.02906 170.3
[M+H-H2O]+ 289.06316 158.9
[M+HCOO]- 351.06410 183.1
[M+CH3COO]- 365.07975 202.2
[M+Na-2H]- 327.04057 167.6
[M]+ 306.06535 171.6
[M]- 306.06645 171.6
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.