CID 53713380

196962-62-6

Structural Information

Molecular Formula

C₈H₅ClN₂O₃S

SMILES

C1=CC2=C(C=C1S(=O)(=O)Cl)N=CC(=O)N2

InChI

InChI=1S/C8H5ClN2O3S/c9-15(13,14)5-1-2-6-7(3-5)10-4-8(12)11-6/h1-4H,(H,11,12)

InChIKey

CCANFNXCFCDRNN-UHFFFAOYSA-N

Compound name

2-oxo-1H-quinoxaline-6-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 243.97095 Da
Monoisotopic Mass: 0.8
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]+	244.97823	144.5
[M+Na]+	266.96017	156.9
[M-H]-	242.96367	146.2
[M+NH4]+	262.00477	161.3
[M+K]+	282.93411	151.1
[M+H-H2O]+	226.96821	139.3
[M+HCOO]-	288.96915	155.1
[M+CH3COO]-	302.98480	182.7
[M+Na-2H]-	264.94562	152.0
[M]+	243.97040	148.6
[M]-	243.97150	148.6

Literature stripe

literature stripe

Patent stripe

patents stripe