CID 22175135

Methyl 6-bromo-3-hydroxypicolinate

Structural Information

Molecular Formula

C₇H₆BrNO₃

SMILES

COC(=O)C1=C(C=CC(=N1)Br)O

InChI

InChI=1S/C7H6BrNO3/c1-12-7(11)6-4(10)2-3-5(8)9-6/h2-3,10H,1H3

InChIKey

UGFPNFKMYRHGBG-UHFFFAOYSA-N

Compound name

methyl 6-bromo-3-hydroxypyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 223
Patents: 230.95311 Da
Monoisotopic Mass: 2.3
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]+	231.960386	135.9
[M+Na]+	253.942328	148.4
[M-H]-	229.945834	140.3
[M+NH4]+	248.986933	155.9
[M+K]+	269.916268	138.3
[M+H-H2O]+	213.950370	135.8
[M+HCOO]-	275.951311	155.8
[M+CH3COO]-	289.966961	183.5
[M+Na-2H]-	251.927776	143.3
[M]+	230.95256142	155.9
[M]-	230.95365858	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe