CID 46867660

2-amino-4,5-dichloro-3-nitropyridine

Structural Information

Molecular Formula
C5H3Cl2N3O2
SMILES
C1=C(C(=C(C(=N1)N)[N+](=O)[O-])Cl)Cl
InChI
InChI=1S/C5H3Cl2N3O2/c6-2-1-9-5(8)4(3(2)7)10(11)12/h1H,(H2,8,9)
InChIKey
KYVDKOZOAOAFDC-UHFFFAOYSA-N
Compound name
4,5-dichloro-3-nitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

206.96024 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.96752 136.3
[M+Na]+ 229.94946 146.3
[M-H]- 205.95296 137.9
[M+NH4]+ 224.99406 154.0
[M+K]+ 245.92340 138.2
[M+H-H2O]+ 189.95750 136.6
[M+HCOO]- 251.95844 152.4
[M+CH3COO]- 265.97409 179.2
[M+Na-2H]- 227.93491 143.1
[M]+ 206.95969 136.3
[M]- 206.96079 136.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe