CID 3078179

Brn 3560084

Structural Information

Molecular Formula
C15H8ClNO4
SMILES
C1C2=C(C(=C3C(=N2)COC3=O)C4=CC(=CC=C4)Cl)C(=O)O1
InChI
InChI=1S/C15H8ClNO4/c16-8-3-1-2-7(4-8)11-12-9(5-20-14(12)18)17-10-6-21-15(19)13(10)11/h1-4H,5-6H2
InChIKey
OROGIONYUSPUSF-UHFFFAOYSA-N
Compound name
8-(3-chlorophenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-6,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.0142 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.02148 161.1
[M+Na]+ 324.00342 176.3
[M+NH4]+ 319.04802 169.9
[M+K]+ 339.97736 173.5
[M-H]- 300.00692 167.0
[M+Na-2H]- 321.98887 165.3
[M]+ 301.01365 165.3
[M]- 301.01475 165.3
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.