CID 6447883

Acrylophenone, 5'-bromo-2',4'-dihydroxy-3-(m-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]+ 363.98152 172.7
[M+Na]+ 385.96346 182.1
[M-H]- 361.96696 179.5
[M+NH4]+ 381.00806 186.7
[M+K]+ 401.93740 165.7
[M+H-H2O]+ 345.97150 175.1
[M+HCOO]- 407.97244 191.9
[M+CH3COO]- 421.98809 199.7
[M+Na-2H]- 383.94891 177.2
[M]+ 362.97369 190.0
[M]- 362.97479 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.