CID 71777

Lufenuron

Structural Information

Molecular Formula
C17H8Cl2F8N2O3
SMILES
C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C=C2Cl)OC(C(C(F)(F)F)F)(F)F)Cl)F
InChI
InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)
InChIKey
PWPJGUXAGUPAHP-UHFFFAOYSA-N
Compound name
N-[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

204
References

78382
Patents

509.97842 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.98570 197.0
[M+Na]+ 532.96764 207.3
[M-H]- 508.97114 194.1
[M+NH4]+ 528.01224 204.8
[M+K]+ 548.94158 200.0
[M+H-H2O]+ 492.97568 184.8
[M+HCOO]- 554.97662 199.9
[M+CH3COO]- 568.99227 241.0
[M+Na-2H]- 530.95309 194.3
[M]+ 509.97787 192.6
[M]- 509.97897 192.6
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.