CID 22658

6272-52-2

Structural Information

Molecular Formula

C₁₂H₁₀N₂O₂

SMILES

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

InChI

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

InChIKey

AMBSXARSPPODRO-UHFFFAOYSA-N

Compound name

2-(4-nitrophenyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 38
Patents: 214.07423 Da
Monoisotopic Mass: 2.7
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]+	215.081506	143.8
[M+Na]+	237.063448	150.8
[M-H]-	213.066954	150.5
[M+NH4]+	232.108053	160.9
[M+K]+	253.037388	143.2
[M+H-H2O]+	197.071490	141.1
[M+HCOO]-	259.072431	170.3
[M+CH3COO]-	273.088081	183.7
[M+Na-2H]-	235.048896	151.7
[M]+	214.07368142	140.2
[M]-	214.07477858	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe