CID 16788585

925940-95-0

Structural Information

Molecular Formula

C₁₀H₆ClNO₃

SMILES

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

InChI

InChI=1S/C10H6ClNO3/c11-7-3-1-2-6(4-7)9-5-8(10(13)14)12-15-9/h1-5H,(H,13,14)

InChIKey

MSBRAMMMTSCNGV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 223.00362 Da
Monoisotopic Mass: 2.5
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]+	224.01090	143.1
[M+Na]+	245.99284	157.3
[M+NH4]+	241.03744	150.9
[M+K]+	261.96678	153.5
[M-H]-	221.99634	146.5
[M+Na-2H]-	243.97829	150.2
[M]+	223.00307	146.3
[M]-	223.00417	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe