CID 3067346

81282-46-4

Structural Information

Molecular Formula
C11H7ClN2O4
SMILES
C1CC(=O)N(C1=O)C2=C(C=C3C(=C2)OC(=O)N3)Cl
InChI
InChI=1S/C11H7ClN2O4/c12-5-3-6-8(18-11(17)13-6)4-7(5)14-9(15)1-2-10(14)16/h3-4H,1-2H2,(H,13,17)
InChIKey
HVIQCUQWADCHGM-UHFFFAOYSA-N
Compound name
1-(5-chloro-2-oxo-3H-1,3-benzoxazol-6-yl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.00943 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.01671 153.0
[M+Na]+ 288.99865 166.4
[M-H]- 265.00215 159.1
[M+NH4]+ 284.04325 170.9
[M+K]+ 304.97259 161.9
[M+H-H2O]+ 249.00669 147.4
[M+HCOO]- 311.00763 169.8
[M+CH3COO]- 325.02328 166.8
[M+Na-2H]- 286.98410 155.3
[M]+ 266.00888 157.4
[M]- 266.00998 157.4
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

patents stripe