CID 10931987

2,6-dichloropyridine-3,4-diamine

Structural Information

Molecular Formula
C5H5Cl2N3
SMILES
C1=C(C(=C(N=C1Cl)Cl)N)N
InChI
InChI=1S/C5H5Cl2N3/c6-3-1-2(8)4(9)5(7)10-3/h1H,9H2,(H2,8,10)
InChIKey
HDNVWGXGFBVDKV-UHFFFAOYSA-N
Compound name
2,6-dichloropyridine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

226
Patents

176.98605 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.99333 132.4
[M+Na]+ 199.97527 143.6
[M-H]- 175.97877 133.9
[M+NH4]+ 195.01987 152.0
[M+K]+ 215.94921 138.3
[M+H-H2O]+ 159.98331 128.1
[M+HCOO]- 221.98425 147.9
[M+CH3COO]- 235.99990 182.4
[M+Na-2H]- 197.96072 137.6
[M]+ 176.98550 131.8
[M]- 176.98660 131.8
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