CID 6447883

2-propen-1-one, 1-(5-bromo-2,4-dihydroxyphenyl)-3-(3-nitrophenyl)-

Structural Information

Molecular Formula
C15H10BrNO5
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)C2=CC(=C(C=C2O)O)Br
InChI
InChI=1S/C15H10BrNO5/c16-12-7-11(14(19)8-15(12)20)13(18)5-4-9-2-1-3-10(6-9)17(21)22/h1-8,19-20H/b5-4+
InChIKey
BEUOXKNBSIXVCX-SNAWJCMRSA-N
Compound name
(E)-1-(5-bromo-2,4-dihydroxyphenyl)-3-(3-nitrophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.97424 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.981516 172.7
[M+Na]+ 385.963458 182.1
[M-H]- 361.966964 179.5
[M+NH4]+ 381.008063 186.7
[M+K]+ 401.937398 165.7
[M+H-H2O]+ 345.971500 175.1
[M+HCOO]- 407.972441 191.9
[M+CH3COO]- 421.988091 199.7
[M+Na-2H]- 383.948906 177.2
[M]+ 362.97369142 190.0
[M]- 362.97478858 190.0
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.