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

78642
Patents

509.97842 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.985696 197.0
[M+Na]+ 532.967638 207.3
[M-H]- 508.971144 194.1
[M+NH4]+ 528.012243 204.8
[M+K]+ 548.941578 200.0
[M+H-H2O]+ 492.975680 184.8
[M+HCOO]- 554.976621 199.9
[M+CH3COO]- 568.992271 241.0
[M+Na-2H]- 530.953086 194.3
[M]+ 509.97787142 192.6
[M]- 509.97896858 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

literature stripe

Patent stripe

patents stripe