CID 6474676

2-propen-1-one, 1-(4-bromo-2-hydroxyphenyl)-3-(2-furanyl)-, (2e)-

Structural Information

Molecular Formula
C13H9BrO3
SMILES
C1=COC(=C1)/C=C/C(=O)C2=C(C=C(C=C2)Br)O
InChI
InChI=1S/C13H9BrO3/c14-9-3-5-11(13(16)8-9)12(15)6-4-10-2-1-7-17-10/h1-8,16H/b6-4+
InChIKey
GRQQGHSSMABUHN-GQCTYLIASA-N
Compound name
(E)-1-(4-bromo-2-hydroxyphenyl)-3-(furan-2-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.9735 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.98078 159.0
[M+Na]+ 314.96272 170.5
[M-H]- 290.96622 168.0
[M+NH4]+ 310.00732 178.0
[M+K]+ 330.93666 159.7
[M+H-H2O]+ 274.97076 159.0
[M+HCOO]- 336.97170 179.6
[M+CH3COO]- 350.98735 193.1
[M+Na-2H]- 312.94817 163.6
[M]+ 291.97295 178.7
[M]- 291.97405 178.7
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.