CID 54888251

4-(chloromethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole

Structural Information

Molecular Formula

C₁₁H₇ClF₃NO

SMILES

C1=CC=C(C(=C1)C2=NC(=CO2)CCl)C(F)(F)F

InChI

InChI=1S/C11H7ClF3NO/c12-5-7-6-17-10(16-7)8-3-1-2-4-9(8)11(13,14)15/h1-4,6H,5H2

InChIKey

BSPHSJDYNMUDNQ-UHFFFAOYSA-N

Compound name

4-(chloromethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 261.0168 Da
Monoisotopic Mass: 3.3
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]+	262.024076	149.9
[M+Na]+	284.006018	161.1
[M-H]-	260.009524	152.5
[M+NH4]+	279.050623	166.9
[M+K]+	299.979958	156.7
[M+H-H2O]+	244.014060	141.1
[M+HCOO]-	306.015001	164.6
[M+CH3COO]-	320.030651	191.5
[M+Na-2H]-	281.991466	154.8
[M]+	261.01625142	150.2
[M]-	261.01734858	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe