CID 155884396

Trifloxystrobin tp2

Structural Information

Molecular Formula
C17H13F3N2O
SMILES
C/C(=N/OCC1=CC=CC=C1C#N)/C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C17H13F3N2O/c1-12(13-7-4-8-16(9-13)17(18,19)20)22-23-11-15-6-3-2-5-14(15)10-21/h2-9H,11H2,1H3/b22-12-
InChIKey
CXPMTIVZGJJMSD-UUYOSTAYSA-N
Compound name
2-[[(Z)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

318.098 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.10528 176.8
[M+Na]+ 341.08722 187.2
[M+NH4]+ 336.13182 179.0
[M+K]+ 357.06116 176.7
[M-H]- 317.09072 169.2
[M+Na-2H]- 339.07267 180.0
[M]+ 318.09745 175.3
[M]- 318.09855 175.3
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

No patent data available for this compound.