CID 3017250

6-chloro-n-nitropyridazin-3-amine

Structural Information

Molecular Formula

C₄H₃ClN₄O₂

SMILES

C1=CC(=NN=C1N[N+](=O)[O-])Cl

InChI

InChI=1S/C4H3ClN4O2/c5-3-1-2-4(7-6-3)8-9(10)11/h1-2H,(H,7,8)

InChIKey

UJGJMUKTKKWYGW-UHFFFAOYSA-N

Compound name

N-(6-chloropyridazin-3-yl)nitramide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 173.99445 Da
Monoisotopic Mass: 1.3
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]+	175.001726	127.6
[M+Na]+	196.983668	136.2
[M-H]-	172.987174	128.8
[M+NH4]+	192.028273	144.8
[M+K]+	212.957608	129.8
[M+H-H2O]+	156.991710	125.8
[M+HCOO]-	218.992651	148.7
[M+CH3COO]-	233.008301	172.6
[M+Na-2H]-	194.969116	138.9
[M]+	173.99390142	126.9
[M]-	173.99499858	126.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe