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

2
Annotation Hits: 9
References: 2091
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]+	213.102236	146.5
[M+Na]+	235.084178	153.7
[M-H]-	211.087684	152.7
[M+NH4]+	230.128783	164.0
[M+K]+	251.058118	149.7
[M+H-H2O]+	195.092220	139.2
[M+HCOO]-	257.093161	171.4
[M+CH3COO]-	271.108811	192.0
[M+Na-2H]-	233.069626	151.1
[M]+	212.09441142	142.7
[M]-	212.09550858	142.7

Literature stripe

literature stripe

Patent stripe

patents stripe