CID 129966882

5-(3,5-dichlorophenyl)-1,2-oxazole-3-carboxylic acid

Structural Information

Molecular Formula
C10H5Cl2NO3
SMILES
C1=C(C=C(C=C1Cl)Cl)C2=CC(=NO2)C(=O)O
InChI
InChI=1S/C10H5Cl2NO3/c11-6-1-5(2-7(12)3-6)9-4-8(10(14)15)13-16-9/h1-4H,(H,14,15)
InChIKey
KNAMCYIWTZQJMJ-UHFFFAOYSA-N
Compound name
5-(3,5-dichlorophenyl)-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.96466 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.971936 148.9
[M+Na]+ 279.953878 160.4
[M-H]- 255.957384 154.0
[M+NH4]+ 274.998483 165.8
[M+K]+ 295.927818 156.0
[M+H-H2O]+ 239.961920 143.6
[M+HCOO]- 301.962861 161.6
[M+CH3COO]- 315.978511 188.1
[M+Na-2H]- 277.939326 152.3
[M]+ 256.96411142 153.8
[M]- 256.96520858 153.8
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.