CID 15672202

Pyraflufen

Structural Information

Molecular Formula
C13H9Cl2F3N2O4
SMILES
CN1C(=C(C(=N1)C2=CC(=C(C=C2F)Cl)OCC(=O)O)Cl)OC(F)F
InChI
InChI=1S/C13H9Cl2F3N2O4/c1-20-12(24-13(17)18)10(15)11(19-20)5-2-8(23-4-9(21)22)6(14)3-7(5)16/h2-3,13H,4H2,1H3,(H,21,22)
InChIKey
YXIIPOGUBVYZIW-UHFFFAOYSA-N
Compound name
2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

13047
Patents

383.98914 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.99642 170.3
[M+Na]+ 406.97836 182.5
[M-H]- 382.98186 170.2
[M+NH4]+ 402.02296 182.5
[M+K]+ 422.95230 176.6
[M+H-H2O]+ 366.98640 161.5
[M+HCOO]- 428.98734 178.0
[M+CH3COO]- 443.00299 214.0
[M+Na-2H]- 404.96381 167.3
[M]+ 383.98859 175.3
[M]- 383.98969 175.3
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.