CID 12797626

Fentrifanil

Structural Information

Molecular Formula
C14H6ClF6N3O4
SMILES
C1=CC(=C(C=C1C(F)(F)F)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F)Cl
InChI
InChI=1S/C14H6ClF6N3O4/c15-9-2-1-6(13(16,17)18)3-10(9)22-12-8(14(19,20)21)4-7(23(25)26)5-11(12)24(27)28/h1-5,22H
InChIKey
FVJQBZVCJVMBIP-UHFFFAOYSA-N
Compound name
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,4-dinitro-6-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6840
Patents

428.99512 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.00240 180.8
[M+Na]+ 451.98434 188.5
[M-H]- 427.98784 180.2
[M+NH4]+ 447.02894 189.2
[M+K]+ 467.95828 174.9
[M+H-H2O]+ 411.99238 178.4
[M+HCOO]- 473.99332 193.5
[M+CH3COO]- 488.00897 214.9
[M+Na-2H]- 449.96979 187.7
[M]+ 428.99457 173.0
[M]- 428.99567 173.0
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