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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.04253 154.6
[M+Na]+ 271.02447 166.0
[M-H]- 247.02797 158.0
[M+NH4]+ 266.06907 169.5
[M+K]+ 286.99841 159.4
[M+H-H2O]+ 231.03251 141.6
[M+HCOO]- 293.03345 167.0
[M+CH3COO]- 307.04910 198.5
[M+Na-2H]- 269.00992 156.6
[M]+ 248.03470 149.4
[M]- 248.03580 149.4
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.