CID 84434

2,4-dinitro-n-(2-nitrophenyl)aniline

Structural Information

Molecular Formula
C12H8N4O6
SMILES
C1=CC=C(C(=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C12H8N4O6/c17-14(18)8-5-6-10(12(7-8)16(21)22)13-9-3-1-2-4-11(9)15(19)20/h1-7,13H
InChIKey
RHTGPRLQFAYVBM-UHFFFAOYSA-N
Compound name
2,4-dinitro-N-(2-nitrophenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.04437 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.05165 168.0
[M+Na]+ 327.03359 173.5
[M+NH4]+ 322.07819 176.4
[M+K]+ 343.00753 182.6
[M-H]- 303.03709 164.5
[M+Na-2H]- 325.01904 166.3
[M]+ 304.04382 169.8
[M]- 304.04492 169.8
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.