CID 2776411

321309-40-4

Structural Information

Molecular Formula

C₇H₄ClNO₃S₂

SMILES

C1=C(SC(=C1)S(=O)(=O)Cl)C2=CN=CO2

InChI

InChI=1S/C7H4ClNO3S2/c8-14(10,11)7-2-1-6(13-7)5-3-9-4-12-5/h1-4H

InChIKey

MAGTZUMWQUDWAH-UHFFFAOYSA-N

Compound name

5-(1,3-oxazol-5-yl)thiophene-2-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 84
Patents: 248.93211 Da
Monoisotopic Mass: 2.1
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]+	249.93939	151.6
[M+Na]+	271.92133	164.0
[M+NH4]+	266.96593	159.9
[M+K]+	287.89527	158.3
[M-H]-	247.92483	154.5
[M+Na-2H]-	269.90678	156.7
[M]+	248.93156	155.4
[M]-	248.93266	155.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe