CID 67984069

2-(3-(trifluoromethyl)phenyl)-4,5-dihydrooxazole

Structural Information

Molecular Formula

C₁₀H₈F₃NO

SMILES

C1COC(=N1)C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C10H8F3NO/c11-10(12,13)8-3-1-2-7(6-8)9-14-4-5-15-9/h1-3,6H,4-5H2

InChIKey

OMLULWXGBJGVNQ-UHFFFAOYSA-N

Compound name

2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 215.0558 Da
Monoisotopic Mass: 2.3
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]+	216.06308	149.7
[M+Na]+	238.04502	159.5
[M+NH4]+	233.08962	155.8
[M+K]+	254.01896	155.7
[M-H]-	214.04852	149.1
[M+Na-2H]-	236.03047	154.7
[M]+	215.05525	150.7
[M]-	215.05635	150.7

Literature stripe

literature stripe

Patent stripe

patents stripe