CID 82382436

1889107-68-9

Structural Information

Molecular Formula
C6H4BrClN2O2
SMILES
C1=C(C(=NC(=C1Br)Cl)N)C(=O)O
InChI
InChI=1S/C6H4BrClN2O2/c7-3-1-2(6(11)12)5(9)10-4(3)8/h1H,(H2,9,10)(H,11,12)
InChIKey
ZSDPIQSHJSYDLJ-UHFFFAOYSA-N
Compound name
2-amino-5-bromo-6-chloropyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

249.91447 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.92175 137.6
[M+Na]+ 272.90369 151.3
[M-H]- 248.90719 141.7
[M+NH4]+ 267.94829 157.3
[M+K]+ 288.87763 138.2
[M+H-H2O]+ 232.91173 138.0
[M+HCOO]- 294.91267 153.5
[M+CH3COO]- 308.92832 188.2
[M+Na-2H]- 270.88914 143.6
[M]+ 249.91392 156.3
[M]- 249.91502 156.3
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