CID 13106350

2-bromo-10h-phenothiazine

Structural Information

Molecular Formula
C12H8BrNS
SMILES
C1=CC=C2C(=C1)NC3=C(S2)C=CC(=C3)Br
InChI
InChI=1S/C12H8BrNS/c13-8-5-6-12-10(7-8)14-9-3-1-2-4-11(9)15-12/h1-7,14H
InChIKey
SXBVYXOFICMKHD-UHFFFAOYSA-N
Compound name
2-bromo-10H-phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

276.9561 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.96338 141.8
[M+Na]+ 299.94532 154.7
[M-H]- 275.94882 147.6
[M+NH4]+ 294.98992 162.8
[M+K]+ 315.91926 141.5
[M+H-H2O]+ 259.95336 142.9
[M+HCOO]- 321.95430 154.4
[M+CH3COO]- 335.96995 156.3
[M+Na-2H]- 297.93077 151.0
[M]+ 276.95555 159.8
[M]- 276.95665 159.8
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