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-fluoro-2-pyridinyl)oxy]phenoxy]propanoate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

25
References

17115
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 172.1
[M+Na]+ 372.04095 182.9
[M-H]- 348.04445 173.7
[M+NH4]+ 367.08555 182.8
[M+K]+ 388.01489 176.5
[M+H-H2O]+ 332.04899 157.3
[M+HCOO]- 394.04993 182.5
[M+CH3COO]- 408.06558 215.2
[M+Na-2H]- 370.02640 172.4
[M]+ 349.05118 171.7
[M]- 349.05228 171.7
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.