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

46411
Patents

463.9514 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.95868 185.9
[M+Na]+ 486.94062 194.1
[M-H]- 462.94412 183.6
[M+NH4]+ 481.98522 192.2
[M+K]+ 502.91456 180.1
[M+H-H2O]+ 446.94866 183.7
[M+HCOO]- 508.94960 192.8
[M+CH3COO]- 522.96525 219.6
[M+Na-2H]- 484.92607 192.4
[M]+ 463.95085 179.9
[M]- 463.95195 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.