CID 5377619

3-chloro-1-nitro-10h-phenoxazine

Structural Information

Molecular Formula
C12H7ClN2O3
SMILES
C1=CC=C2C(=C1)NC3=C(C=C(C=C3O2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C12H7ClN2O3/c13-7-5-9(15(16)17)12-11(6-7)18-10-4-2-1-3-8(10)14-12/h1-6,14H
InChIKey
YYWWLHOHETWEEN-UHFFFAOYSA-N
Compound name
3-chloro-1-nitro-10H-phenoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

262.01453 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.021806 150.8
[M+Na]+ 285.003748 159.6
[M-H]- 261.007254 154.2
[M+NH4]+ 280.048353 166.2
[M+K]+ 300.977688 151.3
[M+H-H2O]+ 245.011790 148.8
[M+HCOO]- 307.012731 165.4
[M+CH3COO]- 321.028381 186.9
[M+Na-2H]- 282.989196 161.7
[M]+ 262.01398142 150.9
[M]- 262.01507858 150.9
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