CID 2794576

499770-75-1

Structural Information

Molecular Formula

C₉H₆ClNO₃S

SMILES

C1=CC(=CC(=C1)S(=O)(=O)Cl)C2=CN=CO2

InChI

InChI=1S/C9H6ClNO3S/c10-15(12,13)8-3-1-2-7(4-8)9-5-11-6-14-9/h1-6H

InChIKey

NVZBCBJNRFKVHB-UHFFFAOYSA-N

Compound name

3-(1,3-oxazol-5-yl)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 242.9757 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]+	243.98298	148.5
[M+Na]+	265.96492	162.5
[M+NH4]+	261.00952	156.8
[M+K]+	281.93886	156.5
[M-H]-	241.96842	152.0
[M+Na-2H]-	263.95037	155.8
[M]+	242.97515	152.3
[M]-	242.97625	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe