CID 16090697

Quinoxaline-5-sulfonyl chloride

Structural Information

Molecular Formula

C₈H₅ClN₂O₂S

SMILES

C1=CC2=NC=CN=C2C(=C1)S(=O)(=O)Cl

InChI

InChI=1S/C8H5ClN2O2S/c9-14(12,13)7-3-1-2-6-8(7)11-5-4-10-6/h1-5H

InChIKey

NAKORIYAIZIQHQ-UHFFFAOYSA-N

Compound name

quinoxaline-5-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 227.97603 Da
Monoisotopic Mass: 1.1
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]+	228.983306	141.6
[M+Na]+	250.965248	153.6
[M-H]-	226.968754	144.3
[M+NH4]+	246.009853	159.7
[M+K]+	266.939188	148.7
[M+H-H2O]+	210.973290	135.9
[M+HCOO]-	272.974231	153.3
[M+CH3COO]-	286.989881	182.7
[M+Na-2H]-	248.950696	150.0
[M]+	227.97548142	146.4
[M]-	227.97657858	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe