CID 82078731

1226410-36-1

Structural Information

Molecular Formula

C₇H₅FN₂O₃S

SMILES

C1=CC(=C2C(=C1)S(=O)(=O)NC(=O)N2)F

InChI

InChI=1S/C7H5FN2O3S/c8-4-2-1-3-5-6(4)9-7(11)10-14(5,12)13/h1-3H,(H2,9,10,11)

InChIKey

ORDOVOAXLGQUIE-UHFFFAOYSA-N

Compound name

5-fluoro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 216.00049 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]+	217.00777	137.7
[M+Na]+	238.98971	148.9
[M-H]-	214.99321	136.2
[M+NH4]+	234.03431	156.0
[M+K]+	254.96365	143.7
[M+H-H2O]+	198.99775	131.6
[M+HCOO]-	260.99869	149.2
[M+CH3COO]-	275.01434	177.3
[M+Na-2H]-	236.97516	143.2
[M]+	215.99994	135.4
[M]-	216.00104	135.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.