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

19
Patents

244.08235 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.08963 149.9
[M+Na]+ 267.07157 157.8
[M-H]- 243.07507 148.6
[M+NH4]+ 262.11617 165.5
[M+K]+ 283.04551 153.5
[M+H-H2O]+ 227.07961 139.6
[M+HCOO]- 289.08055 165.9
[M+CH3COO]- 303.09620 187.1
[M+Na-2H]- 265.05702 153.8
[M]+ 244.08180 144.3
[M]- 244.08290 144.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe