CID 3073018

Brn 5818152

Structural Information

Molecular Formula
C11H8Cl2N2O2
SMILES
CC1=CC(=NO1)C(=O)NC2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C11H8Cl2N2O2/c1-6-5-9(15-17-6)11(16)14-10-7(12)3-2-4-8(10)13/h2-5H,1H3,(H,14,16)
InChIKey
VSEACZCDIFRYMJ-UHFFFAOYSA-N
Compound name
N-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

269.99628 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.00356 157.1
[M+Na]+ 292.98550 167.9
[M-H]- 268.98900 163.2
[M+NH4]+ 288.03010 173.9
[M+K]+ 308.95944 163.4
[M+H-H2O]+ 252.99354 151.0
[M+HCOO]- 314.99448 171.7
[M+CH3COO]- 329.01013 195.6
[M+Na-2H]- 290.97095 160.5
[M]+ 269.99573 162.0
[M]- 269.99683 162.0
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

No patent data available for this compound.