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
5
Annotation Hits

29
References

3442
Patents

346.12814 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.13542 181.2
[M+Na]+ 369.11736 189.2
[M-H]- 345.12086 188.7
[M+NH4]+ 364.16196 192.4
[M+K]+ 385.09130 181.2
[M+H-H2O]+ 329.12540 168.4
[M+HCOO]- 391.12634 199.5
[M+CH3COO]- 405.14199 191.0
[M+Na-2H]- 367.10281 184.7
[M]+ 346.12759 177.6
[M]- 346.12869 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