CID 90273940

1432129-33-3

Structural Information

Molecular Formula

C₅H₆ClNO₃S₂

SMILES

CCOC1=NC=C(S1)S(=O)(=O)Cl

InChI

InChI=1S/C5H6ClNO3S2/c1-2-10-5-7-3-4(11-5)12(6,8)9/h3H,2H2,1H3

InChIKey

JANXCABBEBYHSR-UHFFFAOYSA-N

Compound name

2-ethoxy-1,3-thiazole-5-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 226.94777 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]+	227.955046	143.3
[M+Na]+	249.936988	154.7
[M-H]-	225.940494	146.8
[M+NH4]+	244.981593	163.7
[M+K]+	265.910928	150.7
[M+H-H2O]+	209.945030	139.2
[M+HCOO]-	271.945971	152.6
[M+CH3COO]-	285.961621	180.5
[M+Na-2H]-	247.922436	144.9
[M]+	226.94722142	150.2
[M]-	226.94831858	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe