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]+ 361.05858 175.8
[M+Na]+ 383.04052 185.0
[M-H]- 359.04402 178.7
[M+NH4]+ 378.08512 185.9
[M+K]+ 399.01446 179.7
[M+H-H2O]+ 343.04856 167.3
[M+HCOO]- 405.04950 187.9
[M+CH3COO]- 419.06515 208.7
[M+Na-2H]- 381.02597 179.5
[M]+ 360.05075 180.4
[M]- 360.05185 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.