CID 105357308

1601984-62-6

Structural Information

Molecular Formula
C7H7BrN2O2S
SMILES
C1CS(=O)(=O)C2=C(N1)C=C(C=N2)Br
InChI
InChI=1S/C7H7BrN2O2S/c8-5-3-6-7(10-4-5)13(11,12)2-1-9-6/h3-4,9H,1-2H2
InChIKey
RKYOVECFSVTUIT-UHFFFAOYSA-N
Compound name
7-bromo-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine 4,4-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.94116 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.94844 132.1
[M+Na]+ 284.93038 145.9
[M-H]- 260.93388 136.0
[M+NH4]+ 279.97498 153.2
[M+K]+ 300.90432 133.8
[M+H-H2O]+ 244.93842 133.4
[M+HCOO]- 306.93936 144.5
[M+CH3COO]- 320.95501 147.0
[M+Na-2H]- 282.91583 141.3
[M]+ 261.94061 150.6
[M]- 261.94171 150.6
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.