CID 12259390

2,5,6-trichloropyridin-3-amine

Structural Information

Molecular Formula
C5H3Cl3N2
SMILES
C1=C(C(=NC(=C1Cl)Cl)Cl)N
InChI
InChI=1S/C5H3Cl3N2/c6-2-1-3(9)5(8)10-4(2)7/h1H,9H2
InChIKey
RDKOFPGNUGKUPE-UHFFFAOYSA-N
Compound name
2,5,6-trichloropyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

195.93619 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.943466 133.1
[M+Na]+ 218.925408 144.8
[M-H]- 194.928914 133.7
[M+NH4]+ 213.970013 152.3
[M+K]+ 234.899348 139.1
[M+H-H2O]+ 178.933450 129.5
[M+HCOO]- 240.934391 142.5
[M+CH3COO]- 254.950041 183.8
[M+Na-2H]- 216.910856 137.9
[M]+ 195.93564142 134.0
[M]- 195.93673858 134.0
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