CID 67172430

6-bromo-3,4-dihydro-2h-1,4-benzothiazine

Structural Information

Molecular Formula
C8H8BrNS
SMILES
C1CSC2=C(N1)C=C(C=C2)Br
InChI
InChI=1S/C8H8BrNS/c9-6-1-2-8-7(5-6)10-3-4-11-8/h1-2,5,10H,3-4H2
InChIKey
AUIBYERXYVUBIL-UHFFFAOYSA-N
Compound name
6-bromo-3,4-dihydro-2H-1,4-benzothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

228.95609 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.963366 130.7
[M+Na]+ 251.945308 142.3
[M-H]- 227.948814 135.3
[M+NH4]+ 246.989913 152.4
[M+K]+ 267.919248 130.1
[M+H-H2O]+ 211.953350 131.9
[M+HCOO]- 273.954291 143.2
[M+CH3COO]- 287.969941 145.3
[M+Na-2H]- 249.930756 138.4
[M]+ 228.95554142 146.7
[M]- 228.95663858 146.7
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

patents stripe