CID 119005578

4-bromo-6-chloro-n-methylpyridazin-3-amine

Structural Information

Molecular Formula

C₅H₅BrClN₃

SMILES

CNC1=NN=C(C=C1Br)Cl

InChI

InChI=1S/C5H5BrClN3/c1-8-5-3(6)2-4(7)9-10-5/h2H,1H3,(H,8,10)

InChIKey

DDRIRBNMXHXSAX-UHFFFAOYSA-N

Compound name

4-bromo-6-chloro-N-methylpyridazin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 220.93555 Da
Monoisotopic Mass: 1.8
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]+	221.942826	130.7
[M+Na]+	243.924768	144.8
[M-H]-	219.928274	134.9
[M+NH4]+	238.969373	151.2
[M+K]+	259.898708	132.2
[M+H-H2O]+	203.932810	130.4
[M+HCOO]-	265.933751	148.1
[M+CH3COO]-	279.949401	185.9
[M+Na-2H]-	241.910216	140.8
[M]+	220.93500142	150.5
[M]-	220.93609858	150.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe