CID 71230671

Mefentrifluconazole

Structural Information

Molecular Formula
C18H15ClF3N3O2
SMILES
CC(CN1C=NC=N1)(C2=C(C=C(C=C2)OC3=CC=C(C=C3)Cl)C(F)(F)F)O
InChI
InChI=1S/C18H15ClF3N3O2/c1-17(26,9-25-11-23-10-24-25)15-7-6-14(8-16(15)18(20,21)22)27-13-4-2-12(19)3-5-13/h2-8,10-11,26H,9H2,1H3
InChIKey
JERZEQUMJNCPRJ-UHFFFAOYSA-N
Compound name
2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1,2,4-triazol-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

26
References

6371
Patents

397.08047 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.08775 188.4
[M+Na]+ 420.06969 198.0
[M-H]- 396.07319 189.7
[M+NH4]+ 415.11429 197.2
[M+K]+ 436.04363 190.7
[M+H-H2O]+ 380.07773 176.1
[M+HCOO]- 442.07867 197.1
[M+CH3COO]- 456.09432 214.6
[M+Na-2H]- 418.05514 191.0
[M]+ 397.07992 188.4
[M]- 397.08102 188.4
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