CID 15118048

Cyhalofop

Structural Information

Molecular Formula
C16H12FNO4
SMILES
C[C@H](C(=O)O)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)F
InChI
InChI=1S/C16H12FNO4/c1-10(16(19)20)21-12-3-5-13(6-4-12)22-15-7-2-11(9-18)8-14(15)17/h2-8,10H,1H3,(H,19,20)/t10-/m1/s1
InChIKey
ROBSGBGTWRRYSK-SNVBAGLBSA-N
Compound name
(2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

12933
Patents

301.07504 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.08232 167.7
[M+Na]+ 324.06426 179.4
[M+NH4]+ 319.10886 170.2
[M+K]+ 340.03820 170.6
[M-H]- 300.06776 161.2
[M+Na-2H]- 322.04971 171.0
[M]+ 301.07449 166.5
[M]- 301.07559 166.5
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