CID 6474698

2-amino-2'-hydroxy-5'-bromochalcone

Structural Information

Molecular Formula
C15H12BrNO2
SMILES
C1=CC=C(C(=C1)/C=C/C(=O)C2=C(C=CC(=C2)Br)O)N
InChI
InChI=1S/C15H12BrNO2/c16-11-6-8-15(19)12(9-11)14(18)7-5-10-3-1-2-4-13(10)17/h1-9,19H,17H2/b7-5+
InChIKey
GVDIMLMQCGUFSH-FNORWQNLSA-N
Compound name
(E)-3-(2-aminophenyl)-1-(5-bromo-2-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

317.00513 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.01241 164.6
[M+Na]+ 339.99435 174.9
[M-H]- 315.99785 172.1
[M+NH4]+ 335.03895 181.5
[M+K]+ 355.96829 161.5
[M+H-H2O]+ 300.00239 163.0
[M+HCOO]- 362.00333 184.6
[M+CH3COO]- 376.01898 202.1
[M+Na-2H]- 337.97980 168.3
[M]+ 317.00458 180.9
[M]- 317.00568 180.9
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.