CID 2724035

2-amino-6-chloro-3-nitropyridine

Structural Information

Molecular Formula

C₅H₄ClN₃O₂

SMILES

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

InChI

InChI=1S/C5H4ClN3O2/c6-4-2-1-3(9(10)11)5(7)8-4/h1-2H,(H2,7,8)

InChIKey

WERABQRUGJIMKQ-UHFFFAOYSA-N

Compound name

6-chloro-3-nitropyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1365
Patents: 172.9992 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]+	174.00648	129.0
[M+Na]+	195.98842	138.3
[M-H]-	171.99192	131.4
[M+NH4]+	191.03302	147.7
[M+K]+	211.96236	131.4
[M+H-H2O]+	155.99646	128.4
[M+HCOO]-	217.99740	150.6
[M+CH3COO]-	232.01305	173.2
[M+Na-2H]-	193.97387	137.7
[M]+	172.99865	127.8
[M]-	172.99975	127.8

Literature stripe

literature stripe

Patent stripe

patents stripe