CID 99541

64693-24-9

Structural Information

Molecular Formula

C₆H₂Br₃NO

SMILES

C1=C(C(=O)C(=CC1=NBr)Br)Br

InChI

InChI=1S/C6H2Br3NO/c7-4-1-3(10-9)2-5(8)6(4)11/h1-2H

InChIKey

UJHGNSOCECCORW-UHFFFAOYSA-N

Compound name

2,6-dibromo-4-bromoiminocyclohexa-2,5-dien-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 340.76865 Da
Monoisotopic Mass: 3.1
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]+	341.77593	133.4
[M+Na]+	363.75787	142.1
[M-H]-	339.76137	139.9
[M+NH4]+	358.80247	149.0
[M+K]+	379.73181	126.6
[M+H-H2O]+	323.76591	147.7
[M+HCOO]-	385.76685	145.3
[M+CH3COO]-	399.78250	220.1
[M+Na-2H]-	361.74332	139.6
[M]+	340.76810	173.7
[M]-	340.76920	173.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.