CID 47002622

27350-16-9

Structural Information

Molecular Formula
C8H8N2O2S
SMILES
C1C2=CC=CC=C2C(=NS1(=O)=O)N
InChI
InChI=1S/C8H8N2O2S/c9-8-7-4-2-1-3-6(7)5-13(11,12)10-8/h1-4H,5H2,(H2,9,10)
InChIKey
GIKQLEFWTSOVGZ-UHFFFAOYSA-N
Compound name
2,2-dioxo-1H-2lambda6,3-benzothiazin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

196.03065 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.037926 134.9
[M+Na]+ 219.019868 145.7
[M-H]- 195.023374 138.4
[M+NH4]+ 214.064473 156.2
[M+K]+ 234.993808 142.0
[M+H-H2O]+ 179.027910 129.3
[M+HCOO]- 241.028851 152.9
[M+CH3COO]- 255.044501 148.6
[M+Na-2H]- 217.005316 142.4
[M]+ 196.03010142 135.6
[M]- 196.03119858 135.6
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

patents stripe