CID 59355337

1073182-69-0

Structural Information

Molecular Formula
C6H4BrClN2O2
SMILES
C1=C(C(=C(N=C1Cl)Br)N)C(=O)O
InChI
InChI=1S/C6H4BrClN2O2/c7-5-4(9)2(6(11)12)1-3(8)10-5/h1H,9H2,(H,11,12)
InChIKey
UJLTYWONLBZWGL-UHFFFAOYSA-N
Compound name
3-amino-2-bromo-6-chloropyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

249.91447 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.921746 137.6
[M+Na]+ 272.903688 151.3
[M-H]- 248.907194 141.7
[M+NH4]+ 267.948293 157.3
[M+K]+ 288.877628 138.2
[M+H-H2O]+ 232.911730 138.0
[M+HCOO]- 294.912671 153.5
[M+CH3COO]- 308.928321 188.2
[M+Na-2H]- 270.889136 143.6
[M]+ 249.91392142 156.3
[M]- 249.91501858 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