CID 211825

23598-47-2

Structural Information

Molecular Formula
C13H11Cl2NO3
SMILES
C#CCOCC1CN(C(=O)O1)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H11Cl2NO3/c1-2-5-18-8-10-7-16(13(17)19-10)9-3-4-11(14)12(15)6-9/h1,3-4,6,10H,5,7-8H2
InChIKey
GLUQRKYHTNMGOQ-UHFFFAOYSA-N
Compound name
3-(3,4-dichlorophenyl)-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.0116 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.01888 159.8
[M+Na]+ 322.00082 172.5
[M-H]- 298.00432 163.0
[M+NH4]+ 317.04542 173.9
[M+K]+ 337.97476 165.6
[M+H-H2O]+ 282.00886 147.7
[M+HCOO]- 344.00980 166.6
[M+CH3COO]- 358.02545 205.0
[M+Na-2H]- 319.98627 160.2
[M]+ 299.01105 158.9
[M]- 299.01215 158.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.