CID 93265

4,4'-dinitro-2-biphenylamine

Structural Information

Molecular Formula
C12H9N3O4
SMILES
C1=CC(=CC=C1C2=C(C=C(C=C2)[N+](=O)[O-])N)[N+](=O)[O-]
InChI
InChI=1S/C12H9N3O4/c13-12-7-10(15(18)19)5-6-11(12)8-1-3-9(4-2-8)14(16)17/h1-7H,13H2
InChIKey
FRZPYFUNNLIMEC-UHFFFAOYSA-N
Compound name
5-nitro-2-(4-nitrophenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

56
Patents

259.0593 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.06658 157.4
[M+Na]+ 282.04852 171.9
[M+NH4]+ 277.09312 165.0
[M+K]+ 298.02246 170.6
[M-H]- 258.05202 164.5
[M+Na-2H]- 280.03397 165.1
[M]+ 259.05875 161.2
[M]- 259.05985 161.2
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

patents stripe