CID 132354099

2138032-39-8

Structural Information

Molecular Formula

C₆H₆ClNO₄S₂

SMILES

C1COC(O1)C2=NC=C(S2)S(=O)(=O)Cl

InChI

InChI=1S/C6H6ClNO4S2/c7-14(9,10)4-3-8-5(13-4)6-11-1-2-12-6/h3,6H,1-2H2

InChIKey

QZOQHZCMVWKMFA-UHFFFAOYSA-N

Compound name

2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 254.94267 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]+	255.94995	151.3
[M+Na]+	277.93189	162.3
[M-H]-	253.93539	159.3
[M+NH4]+	272.97649	169.7
[M+K]+	293.90583	161.4
[M+H-H2O]+	237.93993	148.5
[M+HCOO]-	299.94087	159.3
[M+CH3COO]-	313.95652	182.5
[M+Na-2H]-	275.91734	152.5
[M]+	254.94212	157.0
[M]-	254.94322	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe