CID 5483847

Clodinafop

Structural Information

Molecular Formula
C14H11ClFNO4
SMILES
C[C@H](C(=O)O)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)Cl)F
InChI
InChI=1S/C14H11ClFNO4/c1-8(14(18)19)20-10-2-4-11(5-3-10)21-13-12(16)6-9(15)7-17-13/h2-8H,1H3,(H,18,19)/t8-/m1/s1
InChIKey
YUIKUTLBPMDDNQ-MRVPVSSYSA-N
Compound name
(2R)-2-[4-(5-chloro-3-fluoropyridin-2-yl)oxyphenoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

20
References

16421
Patents

311.03607 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.04335 164.9
[M+Na]+ 334.02529 178.3
[M+NH4]+ 329.06989 170.9
[M+K]+ 349.99923 172.7
[M-H]- 310.02879 165.6
[M+Na-2H]- 332.01074 171.5
[M]+ 311.03552 167.1
[M]- 311.03662 167.1
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