CID 91731

Fluazinam

Structural Information

Molecular Formula
C13H4Cl2F6N4O4
SMILES
C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F
InChI
InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)
InChIKey
UZCGKGPEKUCDTF-UHFFFAOYSA-N
Compound name
3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

63
References

46711
Patents

463.9514 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.958676 185.9
[M+Na]+ 486.940618 194.1
[M-H]- 462.944124 183.6
[M+NH4]+ 481.985223 192.2
[M+K]+ 502.914558 180.1
[M+H-H2O]+ 446.948660 183.7
[M+HCOO]- 508.949601 192.8
[M+CH3COO]- 522.965251 219.6
[M+Na-2H]- 484.926066 192.4
[M]+ 463.95085142 179.9
[M]- 463.95194858 179.9
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