CID 3714452

2-(2-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C11H10F3N3
SMILES
CC1=NC=CN1C2=C(C=C(C=C2)C(F)(F)F)N
InChI
InChI=1S/C11H10F3N3/c1-7-16-4-5-17(7)10-3-2-8(6-9(10)15)11(12,13)14/h2-6H,15H2,1H3
InChIKey
LXUHLROZWSBJEL-UHFFFAOYSA-N
Compound name
2-(2-methylimidazol-1-yl)-5-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

241.08269 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.08997 149.2
[M+Na]+ 264.07191 159.7
[M-H]- 240.07541 150.0
[M+NH4]+ 259.11651 165.9
[M+K]+ 280.04585 155.0
[M+H-H2O]+ 224.07995 139.1
[M+HCOO]- 286.08089 168.4
[M+CH3COO]- 300.09654 193.8
[M+Na-2H]- 262.05736 152.6
[M]+ 241.08214 144.6
[M]- 241.08324 144.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe