CID 3019364

83817-50-9

Structural Information

Molecular Formula
C13H12ClNO3
SMILES
CCOC(=O)C1=C(ON=C1C2=CC=CC=C2Cl)C
InChI
InChI=1S/C13H12ClNO3/c1-3-17-13(16)11-8(2)18-15-12(11)9-6-4-5-7-10(9)14/h4-7H,3H2,1-2H3
InChIKey
QFOIBTBRETTXIK-UHFFFAOYSA-N
Compound name
ethyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

265.05057 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.057846 156.6
[M+Na]+ 288.039788 167.1
[M-H]- 264.043294 163.4
[M+NH4]+ 283.084393 173.6
[M+K]+ 304.013728 164.2
[M+H-H2O]+ 248.047830 150.0
[M+HCOO]- 310.048771 175.0
[M+CH3COO]- 324.064421 194.2
[M+Na-2H]- 286.025236 159.6
[M]+ 265.05002142 163.3
[M]- 265.05111858 163.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe