CID 29208

18672-16-7

Structural Information

Molecular Formula
C15H12ClNO2
SMILES
CC1N(C(=O)C2=CC=CC=C2O1)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H12ClNO2/c1-10-17(12-8-6-11(16)7-9-12)15(18)13-4-2-3-5-14(13)19-10/h2-10H,1H3
InChIKey
PLKLQJMXSJIMBX-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-2-methyl-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 159.4
[M+Na]+ 296.04488 169.8
[M-H]- 272.04838 166.4
[M+NH4]+ 291.08948 175.1
[M+K]+ 312.01882 165.1
[M+H-H2O]+ 256.05292 151.6
[M+HCOO]- 318.05386 174.0
[M+CH3COO]- 332.06951 171.9
[M+Na-2H]- 294.03033 165.2
[M]+ 273.05511 161.7
[M]- 273.05621 161.7
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.