CID 76308617

Fluazinam-2-amino

Structural Information

Molecular Formula
C13H6Cl2F6N4O2
SMILES
C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2N)Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F
InChI
InChI=1S/C13H6Cl2F6N4O2/c14-6-1-4(12(16,17)18)3-23-11(6)24-10-7(25(26)27)2-5(13(19,20)21)8(15)9(10)22/h1-3H,22H2,(H,23,24)
InChIKey
DLEZDJYEWCAMQH-UHFFFAOYSA-N
Compound name
3-chloro-1-N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-6-nitro-4-(trifluoromethyl)benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

433.9772 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.98448 183.0
[M+Na]+ 456.96642 193.5
[M-H]- 432.96992 180.6
[M+NH4]+ 452.01102 191.6
[M+K]+ 472.94036 181.9
[M+H-H2O]+ 416.97446 176.5
[M+HCOO]- 478.97540 189.7
[M+CH3COO]- 492.99105 222.6
[M+Na-2H]- 454.95187 186.5
[M]+ 433.97665 176.9
[M]- 433.97775 176.9
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

No patent data available for this compound.