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

5
Patents

210.07932 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.086596 142.3
[M+Na]+ 233.068538 153.1
[M-H]- 209.072044 148.1
[M+NH4]+ 228.113143 164.7
[M+K]+ 249.042478 148.0
[M+H-H2O]+ 193.076580 136.8
[M+HCOO]- 255.077521 167.3
[M+CH3COO]- 269.093171 156.4
[M+Na-2H]- 231.053986 148.3
[M]+ 210.07877142 141.1
[M]- 210.07986858 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