CID 45480236

942947-95-7

Structural Information

Molecular Formula

C₅H₃BrClN₃O₂

SMILES

C1=C(C(=C(C(=N1)N)[N+](=O)[O-])Cl)Br

InChI

InChI=1S/C5H3BrClN3O2/c6-2-1-9-5(8)4(3(2)7)10(11)12/h1H,(H2,8,9)

InChIKey

BLGCPXIDEMLKMS-UHFFFAOYSA-N

Compound name

5-bromo-4-chloro-3-nitropyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 250.90971 Da
Monoisotopic Mass: 2.2
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]+	251.91699	138.9
[M+Na]+	273.89893	152.0
[M-H]-	249.90243	144.0
[M+NH4]+	268.94353	158.3
[M+K]+	289.87287	135.6
[M+H-H2O]+	233.90697	143.0
[M+HCOO]-	295.90791	157.8
[M+CH3COO]-	309.92356	184.8
[M+Na-2H]-	271.88438	147.7
[M]+	250.90916	157.0
[M]-	250.91026	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe