CID 3012966

Schembl2983698

Structural Information

Molecular Formula

C₁₀H₇FN₄O₂S₂

SMILES

C1=CC(=CC=C1C2=CN3C(=N2)SC(=N3)S(=O)(=O)N)F

InChI

InChI=1S/C10H7FN4O2S2/c11-7-3-1-6(2-4-7)8-5-15-9(13-8)18-10(14-15)19(12,16)17/h1-5H,(H2,12,16,17)

InChIKey

IXUSWSBVCRXQRA-UHFFFAOYSA-N

Compound name

6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 18
Patents: 297.99945 Da
Monoisotopic Mass: 1.5
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]+	299.00673	161.4
[M+Na]+	320.98867	175.9
[M-H]-	296.99217	165.9
[M+NH4]+	316.03327	178.5
[M+K]+	336.96261	170.1
[M+H-H2O]+	280.99671	155.3
[M+HCOO]-	342.99765	174.7
[M+CH3COO]-	357.01330	174.1
[M+Na-2H]-	318.97412	163.2
[M]+	297.99890	166.0
[M]-	298.00000	166.0

Literature stripe

literature stripe

Patent stripe

patents stripe