CID 9574709

3-dibr-1-ph-pr-dione, oxime

Structural Information

Molecular Formula

C₉H₇Br₂NO₂

SMILES

C1=CC=C(C=C1)/C(=N\O)/C(=O)C(Br)Br

InChI

InChI=1S/C9H7Br2NO2/c10-9(11)8(13)7(12-14)6-4-2-1-3-5-6/h1-5,9,14H/b12-7+

InChIKey

UGVKPCQJFXCVCZ-KPKJPENVSA-N

Compound name

(3E)-1,1-dibromo-3-hydroxyimino-3-phenylpropan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 318.88434 Da
Monoisotopic Mass: 3.7
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]+	319.89162	148.0
[M+Na]+	341.87356	156.3
[M-H]-	317.87706	154.1
[M+NH4]+	336.91816	165.4
[M+K]+	357.84750	141.1
[M+H-H2O]+	301.88160	154.6
[M+HCOO]-	363.88254	163.2
[M+CH3COO]-	377.89819	206.7
[M+Na-2H]-	339.85901	153.2
[M]+	318.88379	180.4
[M]-	318.88489	180.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.