CID 3067347

6-chloro-3-acetyl-5-n-succinimide-benzoxazolinone-2

Structural Information

Molecular Formula
C13H9ClN2O5
SMILES
CC(=O)N1C2=CC(=C(C=C2OC1=O)Cl)N3C(=O)CCC3=O
InChI
InChI=1S/C13H9ClN2O5/c1-6(17)15-9-5-8(16-11(18)2-3-12(16)19)7(14)4-10(9)21-13(15)20/h4-5H,2-3H2,1H3
InChIKey
UCWLLQDCYVRVAA-UHFFFAOYSA-N
Compound name
1-(3-acetyl-6-chloro-2-oxo-1,3-benzoxazol-5-yl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.02 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.02728 162.9
[M+Na]+ 331.00922 176.5
[M-H]- 307.01272 170.7
[M+NH4]+ 326.05382 179.9
[M+K]+ 346.98316 173.0
[M+H-H2O]+ 291.01726 157.3
[M+HCOO]- 353.01820 179.9
[M+CH3COO]- 367.03385 201.3
[M+Na-2H]- 328.99467 163.1
[M]+ 308.01945 170.3
[M]- 308.02055 170.3
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.