CID 83825828

7-bromo-3,4-dihydro-2h-1lambda6,4-benzothiazine-1,1-dione

Structural Information

Molecular Formula
C8H8BrNO2S
SMILES
C1CS(=O)(=O)C2=C(N1)C=CC(=C2)Br
InChI
InChI=1S/C8H8BrNO2S/c9-6-1-2-7-8(5-6)13(11,12)4-3-10-7/h1-2,5,10H,3-4H2
InChIKey
HZHCJNTYEFVZDJ-UHFFFAOYSA-N
Compound name
7-bromo-3,4-dihydro-2H-1lambda6,4-benzothiazine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.94592 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.95320 133.7
[M+Na]+ 283.93514 147.0
[M-H]- 259.93864 138.9
[M+NH4]+ 278.97974 156.1
[M+K]+ 299.90908 134.9
[M+H-H2O]+ 243.94318 135.5
[M+HCOO]- 305.94412 146.9
[M+CH3COO]- 319.95977 148.8
[M+Na-2H]- 281.92059 142.4
[M]+ 260.94537 152.1
[M]- 260.94647 152.1
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.