CID 44542440

1198084-53-5

Structural Information

Molecular Formula

C₃H₃ClN₂O₃S

SMILES

CC1=NON=C1S(=O)(=O)Cl

InChI

InChI=1S/C3H3ClN2O3S/c1-2-3(6-9-5-2)10(4,7)8/h1H3

InChIKey

TYBNZOKCXASDLO-UHFFFAOYSA-N

Compound name

4-methyl-1,2,5-oxadiazole-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 181.95529 Da
Monoisotopic Mass: 1.3
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]+	182.96257	129.7
[M+Na]+	204.94451	142.2
[M-H]-	180.94801	132.8
[M+NH4]+	199.98911	149.2
[M+K]+	220.91845	140.8
[M+H-H2O]+	164.95255	125.0
[M+HCOO]-	226.95349	143.1
[M+CH3COO]-	240.96914	172.3
[M+Na-2H]-	202.92996	135.2
[M]+	181.95474	136.0
[M]-	181.95584	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.