CID 1359

Trim

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

104
References

191
Patents

212.05614 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.063416 140.0
[M+Na]+ 235.045358 150.0
[M-H]- 211.048864 140.7
[M+NH4]+ 230.089963 157.8
[M+K]+ 251.019298 146.0
[M+H-H2O]+ 195.053400 129.9
[M+HCOO]- 257.054341 159.1
[M+CH3COO]- 271.069991 184.4
[M+Na-2H]- 233.030806 145.9
[M]+ 212.05559142 136.0
[M]- 212.05668858 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