CID 138394752

Hydroxy quizalofop

Structural Information

Molecular Formula
C17H13ClN2O5
SMILES
CC(C(=O)O)OC1=CC=C(C=C1)OC2=NC3=C(C=C(C=C3)Cl)NC2=O
InChI
InChI=1S/C17H13ClN2O5/c1-9(17(22)23)24-11-3-5-12(6-4-11)25-16-15(21)19-14-8-10(18)2-7-13(14)20-16/h2-9H,1H3,(H,19,21)(H,22,23)
InChIKey
GRVXQVAJWPNYOC-UHFFFAOYSA-N
Compound name
2-[4-[(6-chloro-3-oxo-4H-quinoxalin-2-yl)oxy]phenoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

360.0513 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.058576 175.8
[M+Na]+ 383.040518 185.0
[M-H]- 359.044024 178.7
[M+NH4]+ 378.085123 185.9
[M+K]+ 399.014458 179.7
[M+H-H2O]+ 343.048560 167.3
[M+HCOO]- 405.049501 187.9
[M+CH3COO]- 419.065151 208.7
[M+Na-2H]- 381.025966 179.5
[M]+ 360.05075142 180.4
[M]- 360.05184858 180.4
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

No patent data available for this compound.