CID 2739756

255876-53-0

Structural Information

Molecular Formula

C₁₀H₆ClNO₃

SMILES

C1=CC=C(C(=C1)C2=C(N=CO2)C(=O)O)Cl

InChI

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

InChIKey

IGBCIBWBDFNAQC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
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