CID 37518

Flumizole

Structural Information

Molecular Formula
C18H15F3N2O2
SMILES
COC1=CC=C(C=C1)C2=C(N=C(N2)C(F)(F)F)C3=CC=C(C=C3)OC
InChI
InChI=1S/C18H15F3N2O2/c1-24-13-7-3-11(4-8-13)15-16(23-17(22-15)18(19,20)21)12-5-9-14(25-2)10-6-12/h3-10H,1-2H3,(H,22,23)
InChIKey
OPYFPDBMMYUPME-UHFFFAOYSA-N
Compound name
4,5-bis(4-methoxyphenyl)-2-(trifluoromethyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

4253
Patents

348.10855 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.115826 178.5
[M+Na]+ 371.097768 188.2
[M-H]- 347.101274 181.4
[M+NH4]+ 366.142373 190.2
[M+K]+ 387.071708 181.9
[M+H-H2O]+ 331.105810 166.8
[M+HCOO]- 393.106751 195.0
[M+CH3COO]- 407.122401 209.1
[M+Na-2H]- 369.083216 179.8
[M]+ 348.10800142 176.9
[M]- 348.10909858 176.9
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