CID 114834

3h-phenoxazin-3-one

Structural Information

Molecular Formula
C12H7NO2
SMILES
C1=CC=C2C(=C1)N=C3C=CC(=O)C=C3O2
InChI
InChI=1S/C12H7NO2/c14-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)13-10/h1-7H
InChIKey
UOMHBFAJZRZNQD-UHFFFAOYSA-N
Compound name
phenoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

81
References

17775
Patents

197.04768 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.054956 136.3
[M+Na]+ 220.036898 147.5
[M-H]- 196.040404 141.8
[M+NH4]+ 215.081503 155.2
[M+K]+ 236.010838 144.7
[M+H-H2O]+ 180.044940 129.0
[M+HCOO]- 242.045881 158.0
[M+CH3COO]- 256.061531 150.7
[M+Na-2H]- 218.022346 148.6
[M]+ 197.04713142 138.8
[M]- 197.04822858 138.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe