CID 146155449

5-bromo-2-chloro-4-methoxypyridin-3-amine

Structural Information

Molecular Formula
C6H6BrClN2O
SMILES
COC1=C(C(=NC=C1Br)Cl)N
InChI
InChI=1S/C6H6BrClN2O/c1-11-5-3(7)2-10-6(8)4(5)9/h2H,9H2,1H3
InChIKey
FDAHSJLVYPPOFD-UHFFFAOYSA-N
Compound name
5-bromo-2-chloro-4-methoxypyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.9352 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.94248 135.7
[M+Na]+ 258.92442 150.0
[M-H]- 234.92792 141.0
[M+NH4]+ 253.96902 156.8
[M+K]+ 274.89836 137.4
[M+H-H2O]+ 218.93246 135.9
[M+HCOO]- 280.93340 153.5
[M+CH3COO]- 294.94905 188.5
[M+Na-2H]- 256.90987 143.3
[M]+ 235.93465 156.0
[M]- 235.93575 156.0
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

No patent data available for this compound.