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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.08660 142.3
[M+Na]+ 233.06854 153.1
[M-H]- 209.07204 148.1
[M+NH4]+ 228.11314 164.7
[M+K]+ 249.04248 148.0
[M+H-H2O]+ 193.07658 136.8
[M+HCOO]- 255.07752 167.3
[M+CH3COO]- 269.09317 156.4
[M+Na-2H]- 231.05399 148.3
[M]+ 210.07877 141.1
[M]- 210.07987 141.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe