CID 474579

5-chloro-1-hydroxy-4-methyl-1-oxo-4h-1.lamda.6-benzo[1,2,4]thiadiazine-3-thione

Structural Information

Molecular Formula
C8H7ClN2O2S2
SMILES
CN1C2=C(C=CC=C2Cl)S(=NC1=S)(=O)O
InChI
InChI=1S/C8H7ClN2O2S2/c1-11-7-5(9)3-2-4-6(7)15(12,13)10-8(11)14/h2-4H,1H3,(H,10,12,13,14)
InChIKey
XWMPSOAFXSJBNL-UHFFFAOYSA-N
Compound name
7-chloro-2-hydroxy-5-methyl-2-oxo-2lambda6-thia-3,5-diazabicyclo[4.4.0]deca-1(6),2,7,9-tetraene-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

261.96375 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.97103 143.5
[M+Na]+ 284.95297 156.4
[M-H]- 260.95647 144.9
[M+NH4]+ 279.99757 162.2
[M+K]+ 300.92691 149.8
[M+H-H2O]+ 244.96101 139.7
[M+HCOO]- 306.96195 148.2
[M+CH3COO]- 320.97760 155.9
[M+Na-2H]- 282.93842 147.8
[M]+ 261.96320 147.9
[M]- 261.96430 147.9
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

No patent data available for this compound.