CID 118514717

1188200-41-0

Structural Information

Molecular Formula
C13H12ClNO4
SMILES
CCOC(=O)C1=NOC(=C1)C2=C(C=C(C=C2)OC)Cl
InChI
InChI=1S/C13H12ClNO4/c1-3-18-13(16)11-7-12(19-15-11)9-5-4-8(17-2)6-10(9)14/h4-7H,3H2,1-2H3
InChIKey
GFDLCIYNVQWZMU-UHFFFAOYSA-N
Compound name
ethyl 5-(2-chloro-4-methoxyphenyl)-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

281.04547 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.05275 159.1
[M+Na]+ 304.03469 169.5
[M-H]- 280.03819 166.0
[M+NH4]+ 299.07929 175.4
[M+K]+ 320.00863 167.2
[M+H-H2O]+ 264.04273 152.4
[M+HCOO]- 326.04367 177.8
[M+CH3COO]- 340.05932 196.3
[M+Na-2H]- 302.02014 162.3
[M]+ 281.04492 167.3
[M]- 281.04602 167.3
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

patents stripe