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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.01428 156.3
[M+Na]+ 293.99622 167.9
[M-H]- 269.99972 163.8
[M+NH4]+ 289.04082 173.7
[M+K]+ 309.97016 164.3
[M+H-H2O]+ 254.00426 150.9
[M+HCOO]- 316.00520 170.2
[M+CH3COO]- 330.02085 190.3
[M+Na-2H]- 291.98167 159.9
[M]+ 271.00645 163.5
[M]- 271.00755 163.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.