CID 92414

Flumiclorac

Structural Information

Molecular Formula
C16H13ClFNO5
SMILES
C1CCC2=C(C1)C(=O)N(C2=O)C3=CC(=C(C=C3F)Cl)OCC(=O)O
InChI
InChI=1S/C16H13ClFNO5/c17-10-5-11(18)12(6-13(10)24-7-14(20)21)19-15(22)8-3-1-2-4-9(8)16(19)23/h5-6H,1-4,7H2,(H,20,21)
InChIKey
GQQIAHNFBAFBCS-UHFFFAOYSA-N
Compound name
2-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-4-fluorophenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

12703
Patents

353.04663 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.05391 174.6
[M+Na]+ 376.03585 184.3
[M-H]- 352.03935 178.7
[M+NH4]+ 371.08045 189.4
[M+K]+ 392.00979 178.8
[M+H-H2O]+ 336.04389 167.5
[M+HCOO]- 398.04483 186.5
[M+CH3COO]- 412.06048 209.5
[M+Na-2H]- 374.02130 172.8
[M]+ 353.04608 176.4
[M]- 353.04718 176.4
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

patents stripe