CID 145867178

Methyl 5-(2,6-dichlorophenyl)-1,2-oxazole-3-carboxylate

Structural Information

Molecular Formula
C11H7Cl2NO3
SMILES
COC(=O)C1=NOC(=C1)C2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C11H7Cl2NO3/c1-16-11(15)8-5-9(17-14-8)10-6(12)3-2-4-7(10)13/h2-5H,1H3
InChIKey
SDTOALBWPJJZJL-UHFFFAOYSA-N
Compound name
methyl 5-(2,6-dichlorophenyl)-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.9803 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.98758 153.0
[M+Na]+ 293.96952 168.4
[M+NH4]+ 289.01412 161.1
[M+K]+ 309.94346 163.4
[M-H]- 269.97302 156.7
[M+Na-2H]- 291.95497 160.1
[M]+ 270.97975 156.9
[M]- 270.98085 156.9
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.