CID 3078199

Brn 3562018

Structural Information

Molecular Formula
C15H10ClNO4
SMILES
C1C2=C(C(C3=C(N2)COC3=O)C4=CC=CC=C4Cl)C(=O)O1
InChI
InChI=1S/C15H10ClNO4/c16-8-4-2-1-3-7(8)11-12-9(5-20-14(12)18)17-10-6-21-15(19)13(10)11/h1-4,11,17H,5-6H2
InChIKey
HJCZCBQYGGVDIB-UHFFFAOYSA-N
Compound name
8-(2-chlorophenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

303.02985 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.03713 166.0
[M+Na]+ 326.01907 177.0
[M-H]- 302.02257 173.9
[M+NH4]+ 321.06367 183.1
[M+K]+ 341.99301 172.9
[M+H-H2O]+ 286.02711 161.2
[M+HCOO]- 348.02805 178.5
[M+CH3COO]- 362.04370 178.4
[M+Na-2H]- 324.00452 167.5
[M]+ 303.02930 168.8
[M]- 303.03040 168.8
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