CID 99542

64693-25-0

Structural Information

Molecular Formula

C₆H₂BrCl₂NO

SMILES

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

InChI

InChI=1S/C6H2BrCl2NO/c7-10-3-1-4(8)6(11)5(9)2-3/h1-2H

InChIKey

GXHZHOWLVGLIOS-UHFFFAOYSA-N

Compound name

4-bromoimino-2,6-dichlorocyclohexa-2,5-dien-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 252.86967 Da
Monoisotopic Mass: 3.0
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]+	253.87695	136.2
[M+Na]+	275.85889	151.3
[M-H]-	251.86239	143.7
[M+NH4]+	270.90349	159.0
[M+K]+	291.83283	137.6
[M+H-H2O]+	235.86693	138.0
[M+HCOO]-	297.86787	151.3
[M+CH3COO]-	311.88352	191.5
[M+Na-2H]-	273.84434	143.6
[M]+	252.86912	156.7
[M]-	252.87022	156.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.