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

49
References

18957
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

literature stripe

Patent stripe

patents stripe