CID 212810

Brn 1124032

Structural Information

Molecular Formula

C₁₀H₈ClNO₄

SMILES

CCOC(=O)N1C2=C(C=CC(=C2)Cl)OC1=O

InChI

InChI=1S/C10H8ClNO4/c1-2-15-9(13)12-7-5-6(11)3-4-8(7)16-10(12)14/h3-5H,2H2,1H3

InChIKey

PXGIZDAJJVNROD-UHFFFAOYSA-N

Compound name

ethyl 5-chloro-2-oxo-1,3-benzoxazole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 241.01419 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]+	242.02147	144.8
[M+Na]+	264.00341	159.4
[M+NH4]+	259.04801	152.3
[M+K]+	279.97735	155.7
[M-H]-	240.00691	146.6
[M+Na-2H]-	261.98886	149.9
[M]+	241.01364	147.6
[M]-	241.01474	147.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.