CID 135400198

32962-47-3

Structural Information

Molecular Formula

C₁₂H₉ClN₂O₂

SMILES

C#CCN=C1NC(=O)C(O1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H9ClN2O2/c1-2-7-14-12-15-11(16)10(17-12)8-3-5-9(13)6-4-8/h1,3-6,10H,7H2,(H,14,15,16)

InChIKey

JTPSSBRZZQPBKW-UHFFFAOYSA-N

Compound name

5-(4-chlorophenyl)-2-prop-2-ynylimino-1,3-oxazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 248.03525 Da
Monoisotopic Mass: 2.1
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]+	249.042526	154.6
[M+Na]+	271.024468	166.0
[M-H]-	247.027974	158.0
[M+NH4]+	266.069073	169.5
[M+K]+	286.998408	159.4
[M+H-H2O]+	231.032510	141.6
[M+HCOO]-	293.033451	167.0
[M+CH3COO]-	307.049101	198.5
[M+Na-2H]-	269.009916	156.6
[M]+	248.03470142	149.4
[M]-	248.03579858	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.