CID 66865

101-56-4

Structural Information

Molecular Formula

C₁₂H₁₀N₃

SMILES

C1=CC=C(C=C1)NC2=CC=C(C=C2)[N+]#N

InChI

InChI=1S/C12H10N3/c13-15-12-8-6-11(7-9-12)14-10-4-2-1-3-5-10/h1-9,14H/q+1

InChIKey

BIHDOXAXFMXYDF-UHFFFAOYSA-N

Compound name

4-anilinobenzenediazonium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1097
Patents: 196.08748 Da
Monoisotopic Mass: 3.8
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]+	197.09476	149.1
[M+Na]+	219.07670	158.3
[M-H]-	195.08020	155.7
[M+NH4]+	214.12130	165.7
[M+K]+	235.05064	148.8
[M+H-H2O]+	179.08474	137.4
[M+HCOO]-	241.08568	172.7
[M+CH3COO]-	255.10133	196.1
[M+Na-2H]-	217.06215	158.8
[M]+	196.08693	141.9
[M]-	196.08803	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe