CID 46835214

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

220.93555 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.942826 133.9
[M+Na]+ 243.924768 147.7
[M-H]- 219.928274 138.6
[M+NH4]+ 238.969373 154.8
[M+K]+ 259.898708 134.1
[M+H-H2O]+ 203.932810 133.6
[M+HCOO]- 265.933751 152.0
[M+CH3COO]- 279.949401 187.8
[M+Na-2H]- 241.910216 141.0
[M]+ 220.93500142 150.7
[M]- 220.93609858 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