CID 91741

Hexaflumuron

Structural Information

Molecular Formula
C16H8Cl2F6N2O3
SMILES
C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C(=C2)Cl)OC(C(F)F)(F)F)Cl)F
InChI
InChI=1S/C16H8Cl2F6N2O3/c17-7-4-6(5-8(18)12(7)29-16(23,24)14(21)22)25-15(28)26-13(27)11-9(19)2-1-3-10(11)20/h1-5,14H,(H2,25,26,27,28)
InChIKey
RGNPBRKPHBKNKX-UHFFFAOYSA-N
Compound name
N-[[3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

93
References

68649
Patents

459.98163 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.98891 188.3
[M+Na]+ 482.97085 192.9
[M+NH4]+ 478.01545 189.1
[M+K]+ 498.94479 189.6
[M-H]- 458.97435 183.0
[M+Na-2H]- 480.95630 189.0
[M]+ 459.98108 187.3
[M]- 459.98218 187.3
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

No patent data available for this compound.