CID 10835

537-45-1

Structural Information

Molecular Formula

C₆H₂Br₂ClNO

SMILES

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

InChI

InChI=1S/C6H2Br2ClNO/c7-4-1-3(10-9)2-5(8)6(4)11/h1-2H

InChIKey

JYWKEVKEKOTYEX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 8375
Patents: 296.81918 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]+	297.82646	134.7
[M+Na]+	319.80840	148.0
[M-H]-	295.81190	142.9
[M+NH4]+	314.85300	155.3
[M+K]+	335.78234	130.9
[M+H-H2O]+	279.81644	143.1
[M+HCOO]-	341.81738	149.6
[M+CH3COO]-	355.83303	204.1
[M+Na-2H]-	317.79385	142.4
[M]+	296.81863	169.5
[M]-	296.81973	169.5

Literature stripe

literature stripe

Patent stripe

patents stripe