CID 91727

Flutriafol

Structural Information

Molecular Formula
C16H13F2N3O
SMILES
C1=CC=C(C(=C1)C(CN2C=NC=N2)(C3=CC=C(C=C3)F)O)F
InChI
InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2
InChIKey
JWUCHKBSVLQQCO-UHFFFAOYSA-N
Compound name
1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

26
References

38868
Patents

301.10266 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.10994 167.1
[M+Na]+ 324.09188 175.8
[M-H]- 300.09538 169.4
[M+NH4]+ 319.13648 178.7
[M+K]+ 340.06582 169.5
[M+H-H2O]+ 284.09992 155.4
[M+HCOO]- 346.10086 183.7
[M+CH3COO]- 360.11651 177.2
[M+Na-2H]- 322.07733 171.4
[M]+ 301.10211 164.2
[M]- 301.10321 164.2
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