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]+ 267.016706 153.0
[M+Na]+ 288.998648 166.4
[M-H]- 265.002154 159.1
[M+NH4]+ 284.043253 170.9
[M+K]+ 304.972588 161.9
[M+H-H2O]+ 249.006690 147.4
[M+HCOO]- 311.007631 169.8
[M+CH3COO]- 325.023281 166.8
[M+Na-2H]- 286.984096 155.3
[M]+ 266.00888142 157.4
[M]- 266.00997858 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