CID 369386

7-chloro-1-methyl-phenothiazone

Structural Information

Molecular Formula
C13H8ClNOS
SMILES
CC1=CC(=O)C=C2C1=NC3=C(S2)C=C(C=C3)Cl
InChI
InChI=1S/C13H8ClNOS/c1-7-4-9(16)6-12-13(7)15-10-3-2-8(14)5-11(10)17-12/h2-6H,1H3
InChIKey
VNTZUMCHJBZCGI-UHFFFAOYSA-N
Compound name
7-chloro-1-methylphenothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.00153 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.00881 149.9
[M+Na]+ 283.99075 163.2
[M-H]- 259.99425 155.1
[M+NH4]+ 279.03535 169.7
[M+K]+ 299.96469 156.7
[M+H-H2O]+ 243.99879 144.3
[M+HCOO]- 305.99973 162.3
[M+CH3COO]- 320.01538 163.6
[M+Na-2H]- 281.97620 156.4
[M]+ 261.00098 156.0
[M]- 261.00208 156.0
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.