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 194.3
[M+Na]+ 428.91668 197.4
[M-H]- 404.92018 197.0
[M+NH4]+ 423.96128 201.6
[M+K]+ 444.89062 182.8
[M+H-H2O]+ 388.92472 201.4
[M+HCOO]- 450.92566 205.2
[M+CH3COO]- 464.94131 206.9
[M+Na-2H]- 426.90213 198.3
[M]+ 405.92691 193.3
[M]- 405.92801 193.3
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