CID 595729

4,6-dichloropyridin-3-amine

Structural Information

Molecular Formula
C5H4Cl2N2
SMILES
C1=C(C(=CN=C1Cl)N)Cl
InChI
InChI=1S/C5H4Cl2N2/c6-3-1-5(7)9-2-4(3)8/h1-2H,8H2
InChIKey
FBGVTWONYOCYGA-UHFFFAOYSA-N
Compound name
4,6-dichloropyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

287
Patents

161.97516 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.982436 126.5
[M+Na]+ 184.964378 137.6
[M-H]- 160.967884 128.2
[M+NH4]+ 180.008983 147.0
[M+K]+ 200.938318 132.8
[M+H-H2O]+ 144.972420 122.2
[M+HCOO]- 206.973361 141.6
[M+CH3COO]- 220.989011 177.0
[M+Na-2H]- 182.949826 133.4
[M]+ 161.97461142 127.2
[M]- 161.97570858 127.2
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