CID 477566

Refchem:907207

Structural Information

Molecular Formula

C₁₅H₁₀ClFN₂O

SMILES

C1C2=NC3=CC=CC=C3N2C(O1)C4=C(C=CC=C4Cl)F

InChI

InChI=1S/C15H10ClFN2O/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

OUMAQKSZNUZPNH-UHFFFAOYSA-N

Compound name

1-(2-chloro-6-fluorophenyl)-1,3-dihydro-[1,3]oxazolo[3,4-a]benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 288.04657 Da
Monoisotopic Mass: 3.4
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]+	289.053846	162.0
[M+Na]+	311.035788	175.4
[M-H]-	287.039294	168.4
[M+NH4]+	306.080393	180.6
[M+K]+	327.009728	169.5
[M+H-H2O]+	271.043830	153.9
[M+HCOO]-	333.044771	178.0
[M+CH3COO]-	347.060421	175.2
[M+Na-2H]-	309.021236	165.5
[M]+	288.04602142	166.4
[M]-	288.04711858	166.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.