CID 10965014

4-amino-2-chloro-3-nitropyridine

Structural Information

Molecular Formula

C₅H₄ClN₃O₂

SMILES

C1=CN=C(C(=C1N)[N+](=O)[O-])Cl

InChI

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

InChIKey

PDQAWJXOYURKPI-UHFFFAOYSA-N

Compound name

2-chloro-3-nitropyridin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 198
Patents: 172.9992 Da
Monoisotopic Mass: 1.5
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