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

34323
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

literature stripe

Patent stripe

patents stripe