CID 84822

7-chloro-5-methyl-2h-1,4-benzothiazin-3(4h)-one

Structural Information

Molecular Formula
C9H8ClNOS
SMILES
CC1=CC(=CC2=C1NC(=O)CS2)Cl
InChI
InChI=1S/C9H8ClNOS/c1-5-2-6(10)3-7-9(5)11-8(12)4-13-7/h2-3H,4H2,1H3,(H,11,12)
InChIKey
CKRMHETZULBGOC-UHFFFAOYSA-N
Compound name
7-chloro-5-methyl-4H-1,4-benzothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.00151 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.008786 139.0
[M+Na]+ 235.990728 149.3
[M-H]- 211.994234 141.2
[M+NH4]+ 231.035333 158.8
[M+K]+ 251.964668 143.6
[M+H-H2O]+ 195.998770 134.5
[M+HCOO]- 257.999711 148.5
[M+CH3COO]- 272.015361 151.7
[M+Na-2H]- 233.976176 142.6
[M]+ 213.00096142 139.7
[M]- 213.00205858 139.7
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.