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

1737
Patents

229.08513 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09241 146.1
[M+Na]+ 252.07435 152.0
[M-H]- 228.07785 152.6
[M+NH4]+ 247.11895 162.1
[M+K]+ 268.04829 144.5
[M+H-H2O]+ 212.08239 142.9
[M+HCOO]- 274.08333 173.5
[M+CH3COO]- 288.09898 188.6
[M+Na-2H]- 250.05980 154.6
[M]+ 229.08458 141.7
[M]- 229.08568 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