CID 362621

136994-89-3

Structural Information

Molecular Formula

C₁₅H₁₁FN₂S

SMILES

C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=CC=C4F

InChI

InChI=1S/C15H11FN2S/c16-11-6-2-1-5-10(11)15-18-13-8-4-3-7-12(13)17-14(18)9-19-15/h1-8,15H,9H2

InChIKey

HNWKWOBCUFHOSF-UHFFFAOYSA-N

Compound name

1-(2-fluorophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 270.06268 Da
Monoisotopic Mass: 3.5
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]+	271.06996	157.0
[M+Na]+	293.05190	170.1
[M-H]-	269.05540	163.4
[M+NH4]+	288.09650	177.9
[M+K]+	309.02584	164.0
[M+H-H2O]+	253.05994	149.8
[M+HCOO]-	315.06088	174.3
[M+CH3COO]-	329.07653	170.5
[M+Na-2H]-	291.03735	159.0
[M]+	270.06213	160.2
[M]-	270.06323	160.2

Literature stripe

literature stripe

Patent stripe

patents stripe