CID 91766

Flufenoxuron

Structural Information

Molecular Formula
C21H11ClF6N2O3
SMILES
C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=C(C=C(C=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)F)F
InChI
InChI=1S/C21H11ClF6N2O3/c22-12-8-10(21(26,27)28)4-7-17(12)33-11-5-6-16(15(25)9-11)29-20(32)30-19(31)18-13(23)2-1-3-14(18)24/h1-9H,(H2,29,30,31,32)
InChIKey
RYLHNOVXKPXDIP-UHFFFAOYSA-N
Compound name
N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2,6-difluorobenzamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

66
References

36849
Patents

488.03622 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.04350 206.0
[M+Na]+ 511.02544 216.1
[M-H]- 487.02894 208.8
[M+NH4]+ 506.07004 213.8
[M+K]+ 526.99938 208.5
[M+H-H2O]+ 471.03348 192.2
[M+HCOO]- 533.03442 217.7
[M+CH3COO]- 547.05007 239.9
[M+Na-2H]- 509.01089 204.0
[M]+ 488.03567 203.0
[M]- 488.03677 203.0
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