CID 13489812

87488-71-9

Structural Information

Molecular Formula

C₉H₆ClNO₃S

SMILES

C1=CC=C(C(=C1)C2=CON=C2)S(=O)(=O)Cl

InChI

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

InChIKey

HIJGTLBKCFNWSK-UHFFFAOYSA-N

Compound name

2-(1,2-oxazol-4-yl)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
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	147.4
[M+Na]+	265.96492	159.1
[M-H]-	241.96842	154.9
[M+NH4]+	261.00952	165.6
[M+K]+	281.93886	155.9
[M+H-H2O]+	225.97296	142.1
[M+HCOO]-	287.97390	162.0
[M+CH3COO]-	301.98955	183.2
[M+Na-2H]-	263.95037	152.6
[M]+	242.97515	153.5
[M]-	242.97625	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe