CID 328740

N-(3,5-dichlorophenyl)picrylamine

Structural Information

Molecular Formula
C12H6Cl2N4O6
SMILES
C1=C(C=C(C=C1Cl)Cl)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C12H6Cl2N4O6/c13-6-1-7(14)3-8(2-6)15-12-10(17(21)22)4-9(16(19)20)5-11(12)18(23)24/h1-5,15H
InChIKey
LIGZGKCSTQNUKY-UHFFFAOYSA-N
Compound name
N-(3,5-dichlorophenyl)-2,4,6-trinitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.96643 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.97371 185.3
[M+Na]+ 394.95565 188.7
[M-H]- 370.95915 189.5
[M+NH4]+ 390.00025 193.7
[M+K]+ 410.92959 173.5
[M+H-H2O]+ 354.96369 191.5
[M+HCOO]- 416.96463 201.4
[M+CH3COO]- 430.98028 201.2
[M+Na-2H]- 392.94110 191.5
[M]+ 371.96588 183.5
[M]- 371.96698 183.5
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.