CID 57370272

2-chlorooxazolo[5,4-b]pyridine

Structural Information

Molecular Formula

C₆H₃ClN₂O

SMILES

C1=CC2=C(N=C1)OC(=N2)Cl

InChI

InChI=1S/C6H3ClN2O/c7-6-9-4-2-1-3-8-5(4)10-6/h1-3H

InChIKey

ISONIAAHFNNUKU-UHFFFAOYSA-N

Compound name

2-chloro-[1,3]oxazolo[5,4-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 153.9934 Da
Monoisotopic Mass: 2.0
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]+	155.000676	123.0
[M+Na]+	176.982618	136.0
[M-H]-	152.986124	126.2
[M+NH4]+	172.027223	144.1
[M+K]+	192.956558	133.5
[M+H-H2O]+	136.990660	117.0
[M+HCOO]-	198.991601	142.6
[M+CH3COO]-	213.007251	138.6
[M+Na-2H]-	174.968066	133.8
[M]+	153.99285142	128.1
[M]-	153.99394858	128.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe