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 153.6
[M+Na]+ 293.96952 165.2
[M-H]- 269.97302 159.9
[M+NH4]+ 289.01412 170.7
[M+K]+ 309.94346 161.5
[M+H-H2O]+ 253.97756 147.8
[M+HCOO]- 315.97850 167.5
[M+CH3COO]- 329.99415 192.8
[M+Na-2H]- 291.95497 156.9
[M]+ 270.97975 160.6
[M]- 270.98085 160.6
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.