CID 141198

1-(4-trifluoromethylphenyl)imidazole

Structural Information

Molecular Formula
C10H7F3N2
SMILES
C1=CC(=CC=C1C(F)(F)F)N2C=CN=C2
InChI
InChI=1S/C10H7F3N2/c11-10(12,13)8-1-3-9(4-2-8)15-6-5-14-7-15/h1-7H
InChIKey
FUJKJTAYTFLIDA-UHFFFAOYSA-N
Compound name
1-[4-(trifluoromethyl)phenyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

44
Patents

212.05614 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.06342 140.0
[M+Na]+ 235.04536 150.0
[M-H]- 211.04886 140.7
[M+NH4]+ 230.08996 157.8
[M+K]+ 251.01930 146.0
[M+H-H2O]+ 195.05340 129.9
[M+HCOO]- 257.05434 159.1
[M+CH3COO]- 271.06999 184.4
[M+Na-2H]- 233.03081 145.9
[M]+ 212.05559 136.0
[M]- 212.05669 136.0
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