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]+ 197.03793 134.9
[M+Na]+ 219.01987 145.7
[M-H]- 195.02337 138.4
[M+NH4]+ 214.06447 156.2
[M+K]+ 234.99381 142.0
[M+H-H2O]+ 179.02791 129.3
[M+HCOO]- 241.02885 152.9
[M+CH3COO]- 255.04450 148.6
[M+Na-2H]- 217.00532 142.4
[M]+ 196.03010 135.6
[M]- 196.03120 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