CID 9568693

90932-86-8

Structural Information

Molecular Formula

C₇H₆Br₂N₂O

SMILES

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

InChI

InChI=1S/C7H6Br2N2O/c1-12-7-4-5(10-8)2-3-6(7)11-9/h2-4H,1H3/b10-5+,11-6+

InChIKey

JWIJZVGXGSQZDI-YOYBCKCWSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 291.8847 Da
Monoisotopic Mass: 2.8
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]+	292.89198	146.8
[M+Na]+	314.87392	141.4
[M+NH4]+	309.91852	148.8
[M+K]+	330.84786	147.5
[M-H]-	290.87742	148.3
[M+Na-2H]-	312.85937	148.7
[M]+	291.88415	145.2
[M]-	291.88525	145.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.