CID 219374

7-chloro-2h-1,4-benzothiazin-3(4h)-one

Structural Information

Molecular Formula
C8H6ClNOS
SMILES
C1C(=O)NC2=C(S1)C=C(C=C2)Cl
InChI
InChI=1S/C8H6ClNOS/c9-5-1-2-6-7(3-5)12-4-8(11)10-6/h1-3H,4H2,(H,10,11)
InChIKey
JNPOLSNJHCFNCG-UHFFFAOYSA-N
Compound name
7-chloro-4H-1,4-benzothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

37
Patents

198.98586 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.99314 136.0
[M+Na]+ 221.97508 150.2
[M+NH4]+ 217.01968 146.2
[M+K]+ 237.94902 140.7
[M-H]- 197.97858 138.5
[M+Na-2H]- 219.96053 142.1
[M]+ 198.98531 139.5
[M]- 198.98641 139.5
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