CID 44385

2-imidazoline, 2-((alpha,alpha,alpha-trifluoro-m-tolyloxy)methyl)-, hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₁F₃N₂O

SMILES

C1CN=C(N1)COC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C11H11F3N2O/c12-11(13,14)8-2-1-3-9(6-8)17-7-10-15-4-5-16-10/h1-3,6H,4-5,7H2,(H,15,16)

InChIKey

MJFFRCJEPJXPOJ-UHFFFAOYSA-N

Compound name

2-[[3-(trifluoromethyl)phenoxy]methyl]-4,5-dihydro-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 244.08235 Da
Monoisotopic Mass: 1.8
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]+	245.089626	149.9
[M+Na]+	267.071568	157.8
[M-H]-	243.075074	148.6
[M+NH4]+	262.116173	165.5
[M+K]+	283.045508	153.5
[M+H-H2O]+	227.079610	139.6
[M+HCOO]-	289.080551	165.9
[M+CH3COO]-	303.096201	187.1
[M+Na-2H]-	265.057016	153.8
[M]+	244.08180142	144.3
[M]-	244.08289858	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe