CID 52987946

1053655-82-5

Structural Information

Molecular Formula

C₆H₃BrN₂O₄

SMILES

C1=C(C(=CN=C1Br)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C6H3BrN2O4/c7-5-1-3(6(10)11)4(2-8-5)9(12)13/h1-2H,(H,10,11)

InChIKey

YISYYAZCRUHFBZ-UHFFFAOYSA-N

Compound name

2-bromo-5-nitropyridine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 245.92763 Da
Monoisotopic Mass: 1.2
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]+	246.93491	141.9
[M+Na]+	268.91685	144.9
[M+NH4]+	263.96145	144.9
[M+K]+	284.89079	149.2
[M-H]-	244.92035	141.5
[M+Na-2H]-	266.90230	143.8
[M]+	245.92708	140.7
[M]-	245.92818	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe