CID 18383151

5-bromo-2-chloro-3,4-diamino-pyridine

Structural Information

Molecular Formula
C5H5BrClN3
SMILES
C1=C(C(=C(C(=N1)Cl)N)N)Br
InChI
InChI=1S/C5H5BrClN3/c6-2-1-10-5(7)4(9)3(2)8/h1H,9H2,(H2,8,10)
InChIKey
IFEZDSVRWYQAJR-UHFFFAOYSA-N
Compound name
5-bromo-2-chloropyridine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

220.93555 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.94283 133.9
[M+Na]+ 243.92477 147.7
[M-H]- 219.92827 138.6
[M+NH4]+ 238.96937 154.8
[M+K]+ 259.89871 134.1
[M+H-H2O]+ 203.93281 133.6
[M+HCOO]- 265.93375 152.0
[M+CH3COO]- 279.94940 187.8
[M+Na-2H]- 241.91022 141.0
[M]+ 220.93500 150.7
[M]- 220.93610 150.7
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