CID 92431

Clodinafop-propargyl

Structural Information

Molecular Formula
C17H13ClFNO4
SMILES
C[C@H](C(=O)OCC#C)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)Cl)F
InChI
InChI=1S/C17H13ClFNO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3/t11-/m1/s1
InChIKey
JBDHZKLJNAIJNC-LLVKDONJSA-N
Compound name
prop-2-ynyl (2R)-2-[4-(5-chloro-3-fluoropyridin-2-yl)oxyphenoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

25
References

14635
Patents

349.05173 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.05901 173.0
[M+Na]+ 372.04095 186.2
[M+NH4]+ 367.08555 175.4
[M+K]+ 388.01489 176.6
[M-H]- 348.04445 165.8
[M+Na-2H]- 370.02640 176.3
[M]+ 349.05118 172.2
[M]- 349.05228 172.2
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