CID 5101056

4,5-diamino-9h-fluoren-9-one

Structural Information

Molecular Formula

C₁₃H₁₀N₂O

SMILES

C1=CC2=C(C(=C1)N)C3=C(C2=O)C=CC=C3N

InChI

InChI=1S/C13H10N2O/c14-9-5-1-3-7-11(9)12-8(13(7)16)4-2-6-10(12)15/h1-6H,14-15H2

InChIKey

QMRQBHRUQRRJCX-UHFFFAOYSA-N

Compound name

4,5-diaminofluoren-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 210.07932 Da
Monoisotopic Mass: 1.7
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]+	211.08660	143.3
[M+Na]+	233.06854	156.3
[M+NH4]+	228.11314	153.1
[M+K]+	249.04248	151.1
[M-H]-	209.07204	147.7
[M+Na-2H]-	231.05399	149.2
[M]+	210.07877	146.3
[M]-	210.07987	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe