CID 138987593

2649071-18-9

Structural Information

Molecular Formula

C₆H₁₀ClNO₃S

SMILES

CC1(CC(=NO1)CS(=O)(=O)Cl)C

InChI

InChI=1S/C6H10ClNO3S/c1-6(2)3-5(8-11-6)4-12(7,9)10/h3-4H2,1-2H3

InChIKey

HDPSPXNQQZFJLJ-UHFFFAOYSA-N

Compound name

(5,5-dimethyl-4H-1,2-oxazol-3-yl)methanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 211.00699 Da
Monoisotopic Mass: 0.9
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]+	212.014266	138.0
[M+Na]+	233.996208	148.9
[M-H]-	209.999714	141.9
[M+NH4]+	229.040813	159.6
[M+K]+	249.970148	147.4
[M+H-H2O]+	194.004250	134.9
[M+HCOO]-	256.005191	150.4
[M+CH3COO]-	270.020841	178.5
[M+Na-2H]-	231.981656	143.3
[M]+	211.00644142	144.1
[M]-	211.00753858	144.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.