CID 619436

4402-83-9

Structural Information

Molecular Formula
C12H9Cl2NO3
SMILES
CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)OC
InChI
InChI=1S/C12H9Cl2NO3/c1-6-9(12(16)17-2)11(15-18-6)10-7(13)4-3-5-8(10)14/h3-5H,1-2H3
InChIKey
YPCASVCAZYPZOI-UHFFFAOYSA-N
Compound name
methyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

284.99594 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.00322 158.0
[M+Na]+ 307.98516 170.0
[M-H]- 283.98866 164.5
[M+NH4]+ 303.02976 174.8
[M+K]+ 323.95910 166.1
[M+H-H2O]+ 267.99320 152.3
[M+HCOO]- 329.99414 171.5
[M+CH3COO]- 344.00979 196.9
[M+Na-2H]- 305.97061 160.0
[M]+ 284.99539 165.7
[M]- 284.99649 165.7
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.