CID 61636651

5-(2,6-dichlorophenyl)-1,3-oxazole-4-carboxylic acid

Structural Information

Molecular Formula
C10H5Cl2NO3
SMILES
C1=CC(=C(C(=C1)Cl)C2=C(N=CO2)C(=O)O)Cl
InChI
InChI=1S/C10H5Cl2NO3/c11-5-2-1-3-6(12)7(5)9-8(10(14)15)13-4-16-9/h1-4H,(H,14,15)
InChIKey
XJKZQXXYYHHNHB-UHFFFAOYSA-N
Compound name
5-(2,6-dichlorophenyl)-1,3-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.96466 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.97194 148.9
[M+Na]+ 279.95388 160.4
[M-H]- 255.95738 154.0
[M+NH4]+ 274.99848 165.8
[M+K]+ 295.92782 156.0
[M+H-H2O]+ 239.96192 143.6
[M+HCOO]- 301.96286 161.6
[M+CH3COO]- 315.97851 188.1
[M+Na-2H]- 277.93933 152.3
[M]+ 256.96411 153.8
[M]- 256.96521 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.