CID 133056929

2677885-07-1

Structural Information

Molecular Formula

C₆H₃BrINO₂

SMILES

C1=C(C=NC(=C1I)C(=O)O)Br

InChI

InChI=1S/C6H3BrINO2/c7-3-1-4(8)5(6(10)11)9-2-3/h1-2H,(H,10,11)

InChIKey

STMMTUUHWUMHOO-UHFFFAOYSA-N

Compound name

5-bromo-3-iodopyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 326.8392 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	327.84648	142.2
[M+Na]+	349.82842	147.9
[M-H]-	325.83192	139.9
[M+NH4]+	344.87302	157.7
[M+K]+	365.80236	143.1
[M+H-H2O]+	309.83646	138.6
[M+HCOO]-	371.83740	157.2
[M+CH3COO]-	385.85305	190.2
[M+Na-2H]-	347.81387	138.1
[M]+	326.83865	157.1
[M]-	326.83975	157.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe