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)-2-pyridinyl]-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]+ 434.984476 183.0
[M+Na]+ 456.966418 193.5
[M-H]- 432.969924 180.6
[M+NH4]+ 452.011023 191.6
[M+K]+ 472.940358 181.9
[M+H-H2O]+ 416.974460 176.5
[M+HCOO]- 478.975401 189.7
[M+CH3COO]- 492.991051 222.6
[M+Na-2H]- 454.951866 186.5
[M]+ 433.97665142 176.9
[M]- 433.97774858 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.