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]+ 229.96337 127.1
[M+Na]+ 251.94531 131.0
[M+NH4]+ 246.98991 133.9
[M+K]+ 267.91925 128.9
[M-H]- 227.94881 128.6
[M+Na-2H]- 249.93076 131.3
[M]+ 228.95554 127.3
[M]- 228.95664 127.3
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