CID 67278

Phenoxazine

Structural Information

Molecular Formula
C12H9NO
SMILES
C1=CC=C2C(=C1)NC3=CC=CC=C3O2
InChI
InChI=1S/C12H9NO/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H
InChIKey
TZMSYXZUNZXBOL-UHFFFAOYSA-N
Compound name
10H-phenoxazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

202
References

128350
Patents

183.06842 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.075696 134.7
[M+Na]+ 206.057638 143.4
[M-H]- 182.061144 138.1
[M+NH4]+ 201.102243 153.3
[M+K]+ 222.031578 139.8
[M+H-H2O]+ 166.065680 127.7
[M+HCOO]- 228.066621 153.1
[M+CH3COO]- 242.082271 147.7
[M+Na-2H]- 204.043086 146.4
[M]+ 183.06787142 132.9
[M]- 183.06896858 132.9
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