CID 369383

8-bromo-phenothiazone

Structural Information

Molecular Formula
C12H6BrNOS
SMILES
C1=CC2=C(C=C1Br)N=C3C=CC(=O)C=C3S2
InChI
InChI=1S/C12H6BrNOS/c13-7-1-4-11-10(5-7)14-9-3-2-8(15)6-12(9)16-11/h1-6H
InChIKey
UIAFEZIAARMPOQ-UHFFFAOYSA-N
Compound name
8-bromophenothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.93536 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.94264 143.0
[M+Na]+ 313.92458 158.1
[M-H]- 289.92808 150.7
[M+NH4]+ 308.96918 164.3
[M+K]+ 329.89852 145.5
[M+H-H2O]+ 273.93262 143.6
[M+HCOO]- 335.93356 158.6
[M+CH3COO]- 349.94921 158.7
[M+Na-2H]- 311.91003 152.8
[M]+ 290.93481 164.9
[M]- 290.93591 164.9
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.