CID 29206

18672-14-5

Structural Information

Molecular Formula
C15H12ClNO2
SMILES
CC1N(C(=O)C2=C(O1)C=CC(=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C15H12ClNO2/c1-10-17(12-5-3-2-4-6-12)15(18)13-9-11(16)7-8-14(13)19-10/h2-10H,1H3
InChIKey
DUYHAUBHGQFDGK-UHFFFAOYSA-N
Compound name
6-chloro-2-methyl-3-phenyl-2H-1,3-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.05566 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.06294 158.5
[M+Na]+ 296.04488 176.1
[M+NH4]+ 291.08948 168.2
[M+K]+ 312.01882 167.3
[M-H]- 272.04838 165.0
[M+Na-2H]- 294.03033 166.9
[M]+ 273.05511 163.4
[M]- 273.05621 163.4
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.