CID 30403

Brn 1588697

Structural Information

Molecular Formula
C14H9Cl2NO2
SMILES
C1N(C(=O)C2=C(O1)C=CC(=C2)Cl)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H9Cl2NO2/c15-9-1-4-11(5-2-9)17-8-19-13-6-3-10(16)7-12(13)14(17)18/h1-7H,8H2
InChIKey
GDYKAXSBYNFRSX-UHFFFAOYSA-N
Compound name
6-chloro-3-(4-chlorophenyl)-2H-1,3-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.00104 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.00832 160.1
[M+Na]+ 315.99026 178.3
[M+NH4]+ 311.03486 169.9
[M+K]+ 331.96420 169.0
[M-H]- 291.99376 166.3
[M+Na-2H]- 313.97571 168.6
[M]+ 293.00049 165.4
[M]- 293.00159 165.4
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

No patent data available for this compound.