CID 119084816

3-chloro-6-nitropyridazine

Structural Information

Molecular Formula

C₄H₂ClN₃O₂

SMILES

C1=CC(=NN=C1[N+](=O)[O-])Cl

InChI

InChI=1S/C4H2ClN3O2/c5-3-1-2-4(7-6-3)8(9)10/h1-2H

InChIKey

BZJJVSPADGGXJJ-UHFFFAOYSA-N

Compound name

3-chloro-6-nitropyridazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 158.98355 Da
Monoisotopic Mass: 1.0
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]+	159.99083	124.1
[M+Na]+	181.97277	133.8
[M-H]-	157.97627	125.4
[M+NH4]+	177.01737	142.3
[M+K]+	197.94671	127.5
[M+H-H2O]+	141.98081	122.7
[M+HCOO]-	203.98175	144.2
[M+CH3COO]-	217.99740	168.0
[M+Na-2H]-	179.95822	134.9
[M]+	158.98300	124.2
[M]-	158.98410	124.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe