CID 98040610

1404439-00-4

Structural Information

Molecular Formula
C5H3BrCl2N2
SMILES
C1=C(C(=C(N=C1Cl)Cl)Br)N
InChI
InChI=1S/C5H3BrCl2N2/c6-4-2(9)1-3(7)10-5(4)8/h1H,(H2,9,10)
InChIKey
HNJSCHRYDJPAPT-UHFFFAOYSA-N
Compound name
3-bromo-2,6-dichloropyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.88567 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.89295 133.3
[M+Na]+ 262.87489 148.7
[M-H]- 238.87839 138.0
[M+NH4]+ 257.91949 154.7
[M+K]+ 278.84883 134.4
[M+H-H2O]+ 222.88293 134.6
[M+HCOO]- 284.88387 146.3
[M+CH3COO]- 298.89952 188.2
[M+Na-2H]- 260.86034 140.8
[M]+ 239.88512 152.6
[M]- 239.88622 152.6
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

No patent data available for this compound.