CID 76326733

Fluazinam-2,6-diamino

Structural Information

Molecular Formula
C13H8Cl2F6N4
SMILES
C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2N)Cl)C(F)(F)F)N)C(F)(F)F
InChI
InChI=1S/C13H8Cl2F6N4/c14-6-1-4(12(16,17)18)3-24-11(6)25-10-7(22)2-5(13(19,20)21)8(15)9(10)23/h1-3H,22-23H2,(H,24,25)
InChIKey
BQSFNWUOCXDPDU-UHFFFAOYSA-N
Compound name
4-chloro-2-N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-(trifluoromethyl)benzene-1,2,3-triamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

2
Patents

404.00302 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.01030 183.0
[M+Na]+ 426.99224 195.2
[M-H]- 402.99574 180.6
[M+NH4]+ 422.03684 193.6
[M+K]+ 442.96618 186.3
[M+H-H2O]+ 387.00028 171.8
[M+HCOO]- 449.00122 189.0
[M+CH3COO]- 463.01687 226.3
[M+Na-2H]- 424.97769 183.1
[M]+ 404.00247 176.4
[M]- 404.00357 176.4
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