CID 50897

Fluazifop-butyl

Structural Information

Molecular Formula
C19H20F3NO4
SMILES
CCCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3
InChIKey
VAIZTNZGPYBOGF-UHFFFAOYSA-N
Compound name
butyl 2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

41
References

21509
Patents

383.13443 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.14171 188.1
[M+Na]+ 406.12365 194.4
[M-H]- 382.12715 189.1
[M+NH4]+ 401.16825 198.1
[M+K]+ 422.09759 191.1
[M+H-H2O]+ 366.13169 176.2
[M+HCOO]- 428.13263 203.6
[M+CH3COO]- 442.14828 217.9
[M+Na-2H]- 404.10910 188.8
[M]+ 383.13388 189.9
[M]- 383.13498 189.9
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