CID 9568692

90932-85-7

Structural Information

Molecular Formula

C₇H₆Br₂N₂

SMILES

CC\1=C/C(=N/Br)/C=C/C1=N\Br

InChI

InChI=1S/C7H6Br2N2/c1-5-4-6(10-8)2-3-7(5)11-9/h2-4H,1H3/b10-6+,11-7+

InChIKey

MJDSYTLERJVQDQ-JMQWPVDRSA-N

Compound name

1-N,4-N-dibromo-2-methylcyclohexa-2,5-diene-1,4-diimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 275.88977 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]+	276.89705	144.0
[M+Na]+	298.87899	139.0
[M+NH4]+	293.92359	146.3
[M+K]+	314.85293	144.8
[M-H]-	274.88249	145.8
[M+Na-2H]-	296.86444	146.2
[M]+	275.88922	142.6
[M]-	275.89032	142.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.