CID 2765644

551930-54-2

Structural Information

Molecular Formula

C₇H₄ClNO₄S

SMILES

C1=C(OC(=C1)S(=O)(=O)Cl)C2=CC=NO2

InChI

InChI=1S/C7H4ClNO4S/c8-14(10,11)7-2-1-5(12-7)6-3-4-9-13-6/h1-4H

InChIKey

AWYRXMXRSGZTEN-UHFFFAOYSA-N

Compound name

5-(1,2-oxazol-5-yl)furan-2-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 232.95496 Da
Monoisotopic Mass: 1.5
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]+	233.96224	144.2
[M+Na]+	255.94418	157.3
[M+NH4]+	250.98878	151.8
[M+K]+	271.91812	154.8
[M-H]-	231.94768	147.8
[M+Na-2H]-	253.92963	149.9
[M]+	232.95441	147.8
[M]-	232.95551	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe