CID 54594458

1,2-oxazol-3-ylmethanesulfonyl chloride

Structural Information

Molecular Formula

C₄H₄ClNO₃S

SMILES

C1=CON=C1CS(=O)(=O)Cl

InChI

InChI=1S/C4H4ClNO3S/c5-10(7,8)3-4-1-2-9-6-4/h1-2H,3H2

InChIKey

LZJDCFQEMYUREM-UHFFFAOYSA-N

Compound name

1,2-oxazol-3-ylmethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 180.96004 Da
Monoisotopic Mass: 0.4
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]+	181.96732	133.5
[M+Na]+	203.94926	145.0
[M+NH4]+	198.99386	141.2
[M+K]+	219.92320	140.4
[M-H]-	179.95276	134.0
[M+Na-2H]-	201.93471	137.7
[M]+	180.95949	135.9
[M]-	180.96059	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe