CID 256354

5-nitro-2-biphenylamine

Structural Information

Molecular Formula

C₁₂H₁₀N₂O₂

SMILES

C1=CC=C(C=C1)C2=C(C=CC(=C2)[N+](=O)[O-])N

InChI

InChI=1S/C12H10N2O2/c13-12-7-6-10(14(15)16)8-11(12)9-4-2-1-3-5-9/h1-8H,13H2

InChIKey

WFBXYWYRLONTJK-UHFFFAOYSA-N

Compound name

4-nitro-2-phenylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 40
Patents: 214.07423 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	215.08151	143.8
[M+Na]+	237.06345	150.8
[M-H]-	213.06695	150.5
[M+NH4]+	232.10805	160.9
[M+K]+	253.03739	143.2
[M+H-H2O]+	197.07149	141.1
[M+HCOO]-	259.07243	170.3
[M+CH3COO]-	273.08808	183.7
[M+Na-2H]-	235.04890	151.7
[M]+	214.07368	140.2
[M]-	214.07478	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe