CID 25067843

916438-46-5

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: 25
Patents: 184.03065 Da
Monoisotopic Mass: -0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	185.03793	134.6
[M+Na]+	207.01987	145.0
[M+NH4]+	202.06447	144.2
[M+K]+	222.99381	138.0
[M-H]-	183.02337	135.4
[M+Na-2H]-	205.00532	140.0
[M]+	184.03010	136.6
[M]-	184.03120	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe