CID 11746721

(4s)-6-chloro-1,1-dioxo-3,4-dihydro-2h-thieno[3,2-e]thiazin-4-ol

Structural Information

Molecular Formula
C6H6ClNO3S2
SMILES
C1[C@H](C2=C(SC(=C2)Cl)S(=O)(=O)N1)O
InChI
InChI=1S/C6H6ClNO3S2/c7-5-1-3-4(9)2-8-13(10,11)6(3)12-5/h1,4,8-9H,2H2/t4-/m1/s1
InChIKey
OFJGKGNJDCLNPM-SCSAIBSYSA-N
Compound name
(4S)-6-chloro-1,1-dioxo-3,4-dihydro-2H-thieno[3,2-e]thiazin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

238.94777 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.95505 140.6
[M+Na]+ 261.93699 152.2
[M-H]- 237.94049 141.8
[M+NH4]+ 256.98159 162.4
[M+K]+ 277.91093 146.3
[M+H-H2O]+ 221.94503 138.8
[M+HCOO]- 283.94597 145.4
[M+CH3COO]- 297.96162 153.1
[M+Na-2H]- 259.92244 143.1
[M]+ 238.94722 142.9
[M]- 238.94832 142.9
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

patents stripe