CID 138991158

2649003-89-2

Structural Information

Molecular Formula

C₅H₈ClNO₃S

SMILES

CC1CC(=NO1)CS(=O)(=O)Cl

InChI

InChI=1S/C5H8ClNO3S/c1-4-2-5(7-10-4)3-11(6,8)9/h4H,2-3H2,1H3

InChIKey

JTKGGZQWEPFPGV-UHFFFAOYSA-N

Compound name

(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)methanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 196.99135 Da
Monoisotopic Mass: 0.8
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]+	197.998626	136.4
[M+Na]+	219.980568	147.0
[M-H]-	195.984074	140.2
[M+NH4]+	215.025173	156.6
[M+K]+	235.954508	145.4
[M+H-H2O]+	179.988610	132.3
[M+HCOO]-	241.989551	149.0
[M+CH3COO]-	256.005201	175.9
[M+Na-2H]-	217.966016	140.3
[M]+	196.99080142	141.7
[M]-	196.99189858	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.