CID 53485742

3-chloro-6-nitropyridin-2-amine

Structural Information

Molecular Formula

C₅H₄ClN₃O₂

SMILES

C1=CC(=NC(=C1Cl)N)[N+](=O)[O-]

InChI

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

InChIKey

KMDAGMZDJCSCAK-UHFFFAOYSA-N

Compound name

3-chloro-6-nitropyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 172.9992 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]+	174.00648	127.4
[M+Na]+	195.98842	141.5
[M+NH4]+	191.03302	135.9
[M+K]+	211.96236	138.4
[M-H]-	171.99192	130.7
[M+Na-2H]-	193.97387	134.5
[M]+	172.99865	130.4
[M]-	172.99975	130.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe