CID 207926

31185-58-7

Structural Information

Molecular Formula

C₁₁H₁₂F₃NO

SMILES

CC1C(OC(N1)C(F)(F)F)C2=CC=CC=C2

InChI

InChI=1S/C11H12F3NO/c1-7-9(8-5-3-2-4-6-8)16-10(15-7)11(12,13)14/h2-7,9-10,15H,1H3

InChIKey

WDQONFLRHLBCKQ-UHFFFAOYSA-N

Compound name

4-methyl-5-phenyl-2-(trifluoromethyl)-1,3-oxazolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 231.0871 Da
Monoisotopic Mass: 2.7
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]+	232.09438	147.2
[M+Na]+	254.07632	155.2
[M-H]-	230.07982	148.0
[M+NH4]+	249.12092	163.7
[M+K]+	270.05026	152.1
[M+H-H2O]+	214.08436	138.4
[M+HCOO]-	276.08530	162.2
[M+CH3COO]-	290.10095	185.8
[M+Na-2H]-	252.06177	150.2
[M]+	231.08655	140.6
[M]-	231.08765	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe