CID 2737513

7117-31-9

Structural Information

Molecular Formula
C9H9NO3S
SMILES
CN1C2=CC=CC=C2C(=O)CS1(=O)=O
InChI
InChI=1S/C9H9NO3S/c1-10-8-5-3-2-4-7(8)9(11)6-14(10,12)13/h2-5H,6H2,1H3
InChIKey
SLAAUAZTLUBBDB-UHFFFAOYSA-N
Compound name
1-methyl-2,2-dioxo-2lambda6,1-benzothiazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

211.03032 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.03760 141.9
[M+Na]+ 234.01954 155.1
[M+NH4]+ 229.06414 151.7
[M+K]+ 249.99348 145.2
[M-H]- 210.02304 143.3
[M+Na-2H]- 232.00499 148.5
[M]+ 211.02977 144.8
[M]- 211.03087 144.8
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