CID 5464602

2-nitro-4-aminodiphenylamine

Structural Information

Molecular Formula
C12H11N3O2
SMILES
C1=CC=C(C=C1)NC2=C(C=C(C=C2)N)[N+](=O)[O-]
InChI
InChI=1S/C12H11N3O2/c13-9-6-7-11(12(8-9)15(16)17)14-10-4-2-1-3-5-10/h1-8,14H,13H2
InChIKey
WHJNKCNHEVCICH-UHFFFAOYSA-N
Compound name
2-nitro-1-N-phenylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

2106
Patents

229.08513 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.092406 146.1
[M+Na]+ 252.074348 152.0
[M-H]- 228.077854 152.6
[M+NH4]+ 247.118953 162.1
[M+K]+ 268.048288 144.5
[M+H-H2O]+ 212.082390 142.9
[M+HCOO]- 274.083331 173.5
[M+CH3COO]- 288.098981 188.6
[M+Na-2H]- 250.059796 154.6
[M]+ 229.08458142 141.7
[M]- 229.08567858 141.7
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