CID 25067843

6-amino-2,3-dihydro-1lambda6,2-benzothiazole-1,1-dione

Structural Information

Molecular Formula
C7H8N2O2S
SMILES
C1C2=C(C=C(C=C2)N)S(=O)(=O)N1
InChI
InChI=1S/C7H8N2O2S/c8-6-2-1-5-4-9-12(10,11)7(5)3-6/h1-3,9H,4,8H2
InChIKey
MJRBDTGIFOARNW-UHFFFAOYSA-N
Compound name
1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

184.03065 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.037926 132.9
[M+Na]+ 207.019868 143.8
[M-H]- 183.023374 135.2
[M+NH4]+ 202.064473 156.0
[M+K]+ 222.993808 139.7
[M+H-H2O]+ 167.027910 128.5
[M+HCOO]- 229.028851 150.6
[M+CH3COO]- 243.044501 146.7
[M+Na-2H]- 205.005316 138.0
[M]+ 184.03010142 132.4
[M]- 184.03119858 132.4
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