CID 23172720

Flutriafol impurity a

Structural Information

Molecular Formula
C16H13F2N3O
SMILES
C1=CC=C(C(=C1)C(CN2C=NN=C2)(C3=CC=C(C=C3)F)O)F
InChI
InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-10-19-20-11-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2
InChIKey
AVRBOWUBROGTNG-UHFFFAOYSA-N
Compound name
1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1,2,4-triazol-4-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

301.10266 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.109936 167.1
[M+Na]+ 324.091878 175.8
[M-H]- 300.095384 169.4
[M+NH4]+ 319.136483 178.7
[M+K]+ 340.065818 169.5
[M+H-H2O]+ 284.099920 155.4
[M+HCOO]- 346.100861 183.7
[M+CH3COO]- 360.116511 177.2
[M+Na-2H]- 322.077326 171.4
[M]+ 301.10211142 164.2
[M]- 301.10320858 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

No literature data available for this compound.

Patent stripe

patents stripe