CID 4184056

N-(2,4,6-trichlorophenyl)picrylamine

Structural Information

Molecular Formula
C12H5Cl3N4O6
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])NC2=C(C=C(C=C2Cl)Cl)Cl)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C12H5Cl3N4O6/c13-5-1-7(14)11(8(15)2-5)16-12-9(18(22)23)3-6(17(20)21)4-10(12)19(24)25/h1-4,16H
InChIKey
XXORWRBJYLBQAX-UHFFFAOYSA-N
Compound name
2,4,6-trinitro-N-(2,4,6-trichlorophenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

405.92746 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.93474 178.0
[M+Na]+ 428.91668 182.7
[M+NH4]+ 423.96128 185.5
[M+K]+ 444.89062 190.5
[M-H]- 404.92018 175.0
[M+Na-2H]- 426.90213 175.6
[M]+ 405.92691 179.6
[M]- 405.92801 179.6
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

patents stripe