CID 2736319

80466-79-1

Structural Information

Molecular Formula

C₅H₆ClNO₃S

SMILES

CC1=C(C(=NO1)C)S(=O)(=O)Cl

InChI

InChI=1S/C5H6ClNO3S/c1-3-5(11(6,8)9)4(2)10-7-3/h1-2H3

InChIKey

GZLPFEYTAAXJCP-UHFFFAOYSA-N

Compound name

3,5-dimethyl-1,2-oxazole-4-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1541
Patents: 194.9757 Da
Monoisotopic Mass: 1.2
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]+	195.98298	134.1
[M+Na]+	217.96492	146.6
[M-H]-	193.96842	138.7
[M+NH4]+	213.00952	154.8
[M+K]+	233.93886	144.8
[M+H-H2O]+	177.97296	130.3
[M+HCOO]-	239.97390	148.2
[M+CH3COO]-	253.98955	176.7
[M+Na-2H]-	215.95037	138.3
[M]+	194.97515	141.2
[M]-	194.97625	141.2

Literature stripe

literature stripe

Patent stripe

patents stripe