CID 122665

Thiazolobenzimidazole

Structural Information

Molecular Formula

C₁₅H₁₀F₂N₂S

SMILES

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

InChI

InChI=1S/C15H10F2N2S/c16-9-4-3-5-10(17)14(9)15-19-12-7-2-1-6-11(12)18-13(19)8-20-15/h1-7,15H,8H2

InChIKey

AMLBAOPYPUXEQF-UHFFFAOYSA-N

Compound name

1-(2,6-difluorophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 32
References: 521
Patents: 288.05328 Da
Monoisotopic Mass: 3.6
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]+	289.06056	159.8
[M+Na]+	311.04250	173.6
[M-H]-	287.04600	165.1
[M+NH4]+	306.08710	180.1
[M+K]+	327.01644	167.1
[M+H-H2O]+	271.05054	151.8
[M+HCOO]-	333.05148	175.9
[M+CH3COO]-	347.06713	173.0
[M+Na-2H]-	309.02795	160.5
[M]+	288.05273	162.3
[M]-	288.05383	162.3

Literature stripe

literature stripe

Patent stripe

patents stripe