CID 67788

Flucofuron

Structural Information

Molecular Formula
C15H8Cl2F6N2O
SMILES
C1=CC(=C(C=C1NC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)C(F)(F)F)Cl
InChI
InChI=1S/C15H8Cl2F6N2O/c16-11-3-1-7(5-9(11)14(18,19)20)24-13(26)25-8-2-4-12(17)10(6-8)15(21,22)23/h1-6H,(H2,24,25,26)
InChIKey
ABOVRDBEJDIBMZ-UHFFFAOYSA-N
Compound name
1,3-bis[4-chloro-3-(trifluoromethyl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

4933
Patents

415.9918 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.99908 184.2
[M+Na]+ 438.98102 189.7
[M+NH4]+ 434.02562 186.1
[M+K]+ 454.95496 185.3
[M-H]- 414.98452 179.6
[M+Na-2H]- 436.96647 186.1
[M]+ 415.99125 183.7
[M]- 415.99235 183.7
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