CID 107651

Penfluron

Structural Information

Molecular Formula
C15H9F5N2O2
SMILES
C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC=C(C=C2)C(F)(F)F)F
InChI
InChI=1S/C15H9F5N2O2/c16-10-2-1-3-11(17)12(10)13(23)22-14(24)21-9-6-4-8(5-7-9)15(18,19)20/h1-7H,(H2,21,22,23,24)
InChIKey
JTHMHWAHAKLCKT-UHFFFAOYSA-N
Compound name
2,6-difluoro-N-[[4-(trifluoromethyl)phenyl]carbamoyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

8304
Patents

344.0584 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.06568 172.0
[M+Na]+ 367.04762 180.1
[M-H]- 343.05112 172.7
[M+NH4]+ 362.09222 184.6
[M+K]+ 383.02156 175.2
[M+H-H2O]+ 327.05566 160.0
[M+HCOO]- 389.05660 189.8
[M+CH3COO]- 403.07225 214.1
[M+Na-2H]- 365.03307 173.4
[M]+ 344.05785 164.8
[M]- 344.05895 164.8
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