CID 11790151

3,4,5-trichloropyridin-2-amine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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

No literature data available for this compound.

Patent stripe

patents stripe