CID 20137907

5-bromo-2-chloroisonicotinic acid

Structural Information

Molecular Formula
C6H3BrClNO2
SMILES
C1=C(C(=CN=C1Cl)Br)C(=O)O
InChI
InChI=1S/C6H3BrClNO2/c7-4-2-9-5(8)1-3(4)6(10)11/h1-2H,(H,10,11)
InChIKey
YRPRNBZLQPBYDS-UHFFFAOYSA-N
Compound name
5-bromo-2-chloropyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

258
Patents

234.90356 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.91084 132.5
[M+Na]+ 257.89278 146.5
[M-H]- 233.89628 137.0
[M+NH4]+ 252.93738 153.2
[M+K]+ 273.86672 134.1
[M+H-H2O]+ 217.90082 133.7
[M+HCOO]- 279.90176 148.2
[M+CH3COO]- 293.91741 183.0
[M+Na-2H]- 255.87823 140.2
[M]+ 234.90301 152.7
[M]- 234.90411 152.7
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

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