CID 211836

23598-66-5

Structural Information

Molecular Formula
C13H12BrNO3
SMILES
C#CCOCC1CN(C(=O)O1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C13H12BrNO3/c1-2-7-17-9-12-8-15(13(16)18-12)11-5-3-10(14)4-6-11/h1,3-6,12H,7-9H2
InChIKey
GOLHUDRMIGSZLX-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.00006 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.00734 163.6
[M+Na]+ 331.98928 166.9
[M+NH4]+ 327.03388 164.4
[M+K]+ 347.96322 165.0
[M-H]- 307.99278 158.1
[M+Na-2H]- 329.97473 162.8
[M]+ 308.99951 160.7
[M]- 309.00061 160.7
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.