CID 6447569

Acrylophenone, 5'-bromo-2',4'-dihydroxy-3-(3,4-dimethoxyphenyl)-

Structural Information

Molecular Formula
C17H15BrO5
SMILES
COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC(=C(C=C2O)O)Br)OC
InChI
InChI=1S/C17H15BrO5/c1-22-16-6-4-10(7-17(16)23-2)3-5-13(19)11-8-12(18)15(21)9-14(11)20/h3-9,20-21H,1-2H3/b5-3+
InChIKey
WLFUUNZIHFWBHM-HWKANZROSA-N
Compound name
(E)-1-(5-bromo-2,4-dihydroxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.01028 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.01756 175.9
[M+Na]+ 400.99950 186.8
[M-H]- 377.00300 182.9
[M+NH4]+ 396.04410 190.6
[M+K]+ 416.97344 174.9
[M+H-H2O]+ 361.00754 174.3
[M+HCOO]- 423.00848 193.9
[M+CH3COO]- 437.02413 209.8
[M+Na-2H]- 398.98495 177.7
[M]+ 378.00973 197.5
[M]- 378.01083 197.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.