CID 282740

2,6-dichloro-3-nitropyridin-4-amine

Structural Information

Molecular Formula
C5H3Cl2N3O2
SMILES
C1=C(C(=C(N=C1Cl)Cl)[N+](=O)[O-])N
InChI
InChI=1S/C5H3Cl2N3O2/c6-3-1-2(8)4(10(11)12)5(7)9-3/h1H,(H2,8,9)
InChIKey
KJVKGYRFRFXCQQ-UHFFFAOYSA-N
Compound name
2,6-dichloro-3-nitropyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

414
Patents

206.96024 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.967516 136.3
[M+Na]+ 229.949458 146.3
[M-H]- 205.952964 137.9
[M+NH4]+ 224.994063 154.0
[M+K]+ 245.923398 138.2
[M+H-H2O]+ 189.957500 136.6
[M+HCOO]- 251.958441 152.4
[M+CH3COO]- 265.974091 179.2
[M+Na-2H]- 227.934906 143.1
[M]+ 206.95969142 136.3
[M]- 206.96078858 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