CID 1302354

712348-40-8

Structural Information

Molecular Formula

C₁₀H₅Cl₂NO₃

SMILES

C1=CC(=C(C=C1Cl)Cl)C2=CC(=NO2)C(=O)O

InChI

InChI=1S/C10H5Cl2NO3/c11-5-1-2-6(7(12)3-5)9-4-8(10(14)15)13-16-9/h1-4H,(H,14,15)

InChIKey

JTPPKCXDMFYTFD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 256.96466 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe