CID 30404

20972-99-0

Structural Information

Molecular Formula
C14H9Cl2NO2
SMILES
C1N(C(=O)C2=CC=CC=C2O1)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C14H9Cl2NO2/c15-11-6-5-9(7-12(11)16)17-8-19-13-4-2-1-3-10(13)14(17)18/h1-7H,8H2
InChIKey
SCRGSPXSQZBULT-UHFFFAOYSA-N
Compound name
3-(3,4-dichlorophenyl)-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 160.8
[M+Na]+ 315.99026 171.9
[M-H]- 291.99376 167.1
[M+NH4]+ 311.03486 176.1
[M+K]+ 331.96420 166.5
[M+H-H2O]+ 275.99830 153.7
[M+HCOO]- 337.99924 170.6
[M+CH3COO]- 352.01489 172.9
[M+Na-2H]- 313.97571 166.3
[M]+ 293.00049 164.0
[M]- 293.00159 164.0
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.