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
1
Annotation Hits

2
References

4217
Patents

348.10855 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.11583 178.5
[M+Na]+ 371.09777 188.2
[M-H]- 347.10127 181.4
[M+NH4]+ 366.14237 190.2
[M+K]+ 387.07171 181.9
[M+H-H2O]+ 331.10581 166.8
[M+HCOO]- 393.10675 195.0
[M+CH3COO]- 407.12240 209.1
[M+Na-2H]- 369.08322 179.8
[M]+ 348.10800 176.9
[M]- 348.10910 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.