CID 135520

3,4-diaminobenzophenone

Structural Information

Molecular Formula

C₁₃H₁₂N₂O

SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)N)N

InChI

InChI=1S/C13H12N2O/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8H,14-15H2

InChIKey

RXCOGDYOZQGGMK-UHFFFAOYSA-N

Compound name

(3,4-diaminophenyl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 1910
Patents: 212.09496 Da
Monoisotopic Mass: 2.0
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]+	213.10224	147.4
[M+Na]+	235.08418	160.4
[M+NH4]+	230.12878	156.0
[M+K]+	251.05812	153.8
[M-H]-	211.08768	152.9
[M+Na-2H]-	233.06963	156.4
[M]+	212.09441	150.7
[M]-	212.09551	150.7

Literature stripe

literature stripe

Patent stripe

patents stripe