CID 3401

Flutrimazole

Structural Information

Molecular Formula
C22H16F2N2
SMILES
C1=CC=C(C=C1)C(C2=CC=C(C=C2)F)(C3=CC=CC=C3F)N4C=CN=C4
InChI
InChI=1S/C22H16F2N2/c23-19-12-10-18(11-13-19)22(26-15-14-25-16-26,17-6-2-1-3-7-17)20-8-4-5-9-21(20)24/h1-16H
InChIKey
QHMWCHQXCUNUAK-UHFFFAOYSA-N
Compound name
1-[(2-fluorophenyl)-(4-fluorophenyl)-phenylmethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

29
References

3488
Patents

346.12814 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.135416 181.2
[M+Na]+ 369.117358 189.2
[M-H]- 345.120864 188.7
[M+NH4]+ 364.161963 192.4
[M+K]+ 385.091298 181.2
[M+H-H2O]+ 329.125400 168.4
[M+HCOO]- 391.126341 199.5
[M+CH3COO]- 405.141991 191.0
[M+Na-2H]- 367.102806 184.7
[M]+ 346.12759142 177.6
[M]- 346.12868858 177.6
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