CID 206007

77636-81-8

Structural Information

Molecular Formula

C₁₀H₉BrN₄O

SMILES

COC1=C(C=C(C=C1)Br)N=NC2=NC=CN2

InChI

InChI=1S/C10H9BrN4O/c1-16-9-3-2-7(11)6-8(9)14-15-10-12-4-5-13-10/h2-6H,1H3,(H,12,13)

InChIKey

UXIKYOOQNJFOEZ-UHFFFAOYSA-N

Compound name

(5-bromo-2-methoxyphenyl)-(1H-imidazol-2-yl)diazene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 279.99597 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]+	281.00325	149.3
[M+Na]+	302.98519	161.2
[M-H]-	278.98869	157.8
[M+NH4]+	298.02979	168.3
[M+K]+	318.95913	150.1
[M+H-H2O]+	262.99323	146.4
[M+HCOO]-	324.99417	174.5
[M+CH3COO]-	339.00982	199.7
[M+Na-2H]-	300.97064	158.0
[M]+	279.99542	169.2
[M]-	279.99652	169.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe