CID 1809770

113425-80-2

Structural Information

Molecular Formula

C₁₆H₉Br₂NO₃

SMILES

C1=CC=C(C=C1)C2=N/C(=C\C3=C(C(=CC(=C3)Br)Br)O)/C(=O)O2

InChI

InChI=1S/C16H9Br2NO3/c17-11-6-10(14(20)12(18)8-11)7-13-16(21)22-15(19-13)9-4-2-1-3-5-9/h1-8,20H/b13-7-

InChIKey

SRPURPRVWVIXRU-QPEQYQDCSA-N

Compound name

(4Z)-4-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 420.89493 Da
Monoisotopic Mass: 4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	421.902206	171.2
[M+Na]+	443.884148	182.1
[M-H]-	419.887654	181.6
[M+NH4]+	438.928753	185.2
[M+K]+	459.858088	167.5
[M+H-H2O]+	403.892190	178.6
[M+HCOO]-	465.893131	185.4
[M+CH3COO]-	479.908781	183.9
[M+Na-2H]-	441.869596	174.4
[M]+	420.89438142	205.6
[M]-	420.89547858	205.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe