CID 728676

4-amino-2,3,5-trichloropyridine

Structural Information

Molecular Formula
C5H3Cl3N2
SMILES
C1=C(C(=C(C(=N1)Cl)Cl)N)Cl
InChI
InChI=1S/C5H3Cl3N2/c6-2-1-10-5(8)3(7)4(2)9/h1H,(H2,9,10)
InChIKey
YYJDUYUWQJWYNA-UHFFFAOYSA-N
Compound name
2,3,5-trichloropyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

195.93619 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.94347 133.1
[M+Na]+ 218.92541 144.8
[M-H]- 194.92891 133.7
[M+NH4]+ 213.97001 152.3
[M+K]+ 234.89935 139.1
[M+H-H2O]+ 178.93345 129.5
[M+HCOO]- 240.93439 142.5
[M+CH3COO]- 254.95004 183.8
[M+Na-2H]- 216.91086 137.9
[M]+ 195.93564 134.0
[M]- 195.93674 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

literature stripe

Patent stripe

patents stripe