CID 91734

Teflubenzuron

Structural Information

Molecular Formula
C14H6Cl2F4N2O2
SMILES
C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C(=C2F)Cl)F)Cl)F
InChI
InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24)
InChIKey
CJDWRQLODFKPEL-UHFFFAOYSA-N
Compound name
N-[(3,5-dichloro-2,4-difluorophenyl)carbamoyl]-2,6-difluorobenzamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

90
References

34560
Patents

379.97424 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.98152 174.0
[M+Na]+ 402.96346 185.9
[M-H]- 378.96696 176.1
[M+NH4]+ 398.00806 187.5
[M+K]+ 418.93740 178.3
[M+H-H2O]+ 362.97150 165.1
[M+HCOO]- 424.97244 185.6
[M+CH3COO]- 438.98809 220.1
[M+Na-2H]- 400.94891 172.7
[M]+ 379.97369 173.8
[M]- 379.97479 173.8
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.