CID 302912

2-[(5-bromopyridin-2-yl)oxy]acetic acid

Structural Information

Molecular Formula

C₇H₆BrNO₃

SMILES

C1=CC(=NC=C1Br)OCC(=O)O

InChI

InChI=1S/C7H6BrNO3/c8-5-1-2-6(9-3-5)12-4-7(10)11/h1-3H,4H2,(H,10,11)

InChIKey

XJUFARLLBCMIAD-UHFFFAOYSA-N

Compound name

2-(5-bromopyridin-2-yl)oxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 230.95311 Da
Monoisotopic Mass: 1.4
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]+	231.96039	136.4
[M+Na]+	253.94233	147.9
[M-H]-	229.94583	140.3
[M+NH4]+	248.98693	155.9
[M+K]+	269.91627	137.8
[M+H-H2O]+	213.95037	136.1
[M+HCOO]-	275.95131	156.2
[M+CH3COO]-	289.96696	183.0
[M+Na-2H]-	251.92778	144.3
[M]+	230.95256	156.0
[M]-	230.95366	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe