CID 18217

2-imidazoline, 2-(m-trifluoromethylbenzyl)-

Structural Information

Molecular Formula
C11H11F3N2
SMILES
C1CN=C(N1)CC2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C11H11F3N2/c12-11(13,14)9-3-1-2-8(6-9)7-10-15-4-5-16-10/h1-3,6H,4-5,7H2,(H,15,16)
InChIKey
LRBKIWYUGFTYDU-UHFFFAOYSA-N
Compound name
2-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

228.08743 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.09471 146.8
[M+Na]+ 251.07665 154.8
[M-H]- 227.08015 145.5
[M+NH4]+ 246.12125 163.1
[M+K]+ 267.05059 149.9
[M+H-H2O]+ 211.08469 136.6
[M+HCOO]- 273.08563 162.6
[M+CH3COO]- 287.10128 185.1
[M+Na-2H]- 249.06210 150.6
[M]+ 228.08688 139.8
[M]- 228.08798 139.8
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