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)-2-pyridinyl]-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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.