CID 71757016

1423026-68-9

Structural Information

Molecular Formula

C₈H₇ClN₂O₃S

SMILES

CCC1=NOC2=C1C=C(C=N2)S(=O)(=O)Cl

InChI

InChI=1S/C8H7ClN2O3S/c1-2-7-6-3-5(15(9,12)13)4-10-8(6)14-11-7/h3-4H,2H2,1H3

InChIKey

MKTIKWLANFECEW-UHFFFAOYSA-N

Compound name

3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 245.98659 Da
Monoisotopic Mass: 1.8
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]+	246.993866	147.2
[M+Na]+	268.975808	161.2
[M-H]-	244.979314	151.6
[M+NH4]+	264.020413	165.7
[M+K]+	284.949748	158.0
[M+H-H2O]+	228.983850	142.3
[M+HCOO]-	290.984791	160.5
[M+CH3COO]-	305.000441	185.6
[M+Na-2H]-	266.961256	153.7
[M]+	245.98604142	156.5
[M]-	245.98713858	156.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.