CID 279440

2,4-dichlorophenothiazin-3-one

Structural Information

Molecular Formula
C12H5Cl2NOS
SMILES
C1=CC=C2C(=C1)N=C3C=C(C(=O)C(=C3S2)Cl)Cl
InChI
InChI=1S/C12H5Cl2NOS/c13-6-5-8-12(10(14)11(6)16)17-9-4-2-1-3-7(9)15-8/h1-5H
InChIKey
YBJVOZCTRKETCN-UHFFFAOYSA-N
Compound name
2,4-dichlorophenothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.9469 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.95418 150.7
[M+Na]+ 303.93612 164.6
[M-H]- 279.93962 155.3
[M+NH4]+ 298.98072 170.1
[M+K]+ 319.91006 157.5
[M+H-H2O]+ 263.94416 146.0
[M+HCOO]- 325.94510 158.4
[M+CH3COO]- 339.96075 164.0
[M+Na-2H]- 301.92157 157.0
[M]+ 280.94635 157.6
[M]- 280.94745 157.6
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

No patent data available for this compound.