CID 180089

Cyhalofop-butyl

Structural Information

Molecular Formula
C20H20FNO4
SMILES
CCCCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)F
InChI
InChI=1S/C20H20FNO4/c1-3-4-11-24-20(23)14(2)25-16-6-8-17(9-7-16)26-19-10-5-15(13-22)12-18(19)21/h5-10,12,14H,3-4,11H2,1-2H3/t14-/m1/s1
InChIKey
TYIYMOAHACZAMQ-CQSZACIVSA-N
Compound name
butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

57
References

19645
Patents

357.13763 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.14491 183.2
[M+Na]+ 380.12685 191.6
[M-H]- 356.13035 186.9
[M+NH4]+ 375.17145 194.3
[M+K]+ 396.10079 187.1
[M+H-H2O]+ 340.13489 167.4
[M+HCOO]- 402.13583 200.0
[M+CH3COO]- 416.15148 224.2
[M+Na-2H]- 378.11230 182.7
[M]+ 357.13708 182.1
[M]- 357.13818 182.1
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

No patent data available for this compound.