CID 54888250

4-(chloromethyl)-2-(4-methanesulfonylphenyl)-1,3-oxazole

Structural Information

Molecular Formula

C₁₁H₁₀ClNO₃S

SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CO2)CCl

InChI

InChI=1S/C11H10ClNO3S/c1-17(14,15)10-4-2-8(3-5-10)11-13-9(6-12)7-16-11/h2-5,7H,6H2,1H3

InChIKey

WJZKPLCHNWNZNZ-UHFFFAOYSA-N

Compound name

4-(chloromethyl)-2-(4-methylsulfonylphenyl)-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 271.007 Da
Monoisotopic Mass: 1.7
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]+	272.014276	156.3
[M+Na]+	293.996218	167.9
[M-H]-	269.999724	163.8
[M+NH4]+	289.040823	173.7
[M+K]+	309.970158	164.3
[M+H-H2O]+	254.004260	150.9
[M+HCOO]-	316.005201	170.2
[M+CH3COO]-	330.020851	190.3
[M+Na-2H]-	291.981666	159.9
[M]+	271.00645142	163.5
[M]-	271.00754858	163.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.