CID 2733538

63870-44-0

Structural Information

Molecular Formula

C₁₂H₁₂N₂Se₂

SMILES

C1=CC=C(C(=C1)N)[Se][Se]C2=CC=CC=C2N

InChI

InChI=1S/C12H12N2Se2/c13-9-5-1-3-7-11(9)15-16-12-8-4-2-6-10(12)14/h1-8H,13-14H2

InChIKey

CTCGHLVDQKKOCB-UHFFFAOYSA-N

Compound name

2-[(2-aminophenyl)diselanyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 34
Patents: 343.93307 Da
Monoisotopic Mass: None
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]+	344.94035	171.8
[M+Na]+	366.92229	177.7
[M-H]-	342.92579	176.6
[M+NH4]+	361.96689	188.2
[M+K]+	382.89623	172.3
[M+H-H2O]+	326.93033	163.0
[M+HCOO]-	388.93127	195.6
[M+CH3COO]-	402.94692	197.5
[M+Na-2H]-	364.90774	174.6
[M]+	343.93252	168.3
[M]-	343.93362	168.3

Literature stripe

literature stripe

Patent stripe

patents stripe