CID 4445499

Chembl222862

Structural Information

Molecular Formula
C17H10O4
SMILES
C1C2=C(C=CC(=C2)C(=O)C=O)C3=C1C=C(C=C3)C(=O)C=O
InChI
InChI=1S/C17H10O4/c18-8-16(20)10-1-3-14-12(5-10)7-13-6-11(17(21)9-19)2-4-15(13)14/h1-6,8-9H,7H2
InChIKey
NRJUQPZOFUCAMY-UHFFFAOYSA-N
Compound name
2-(7-oxaldehydoyl-9H-fluoren-2-yl)-2-oxoacetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

278.05792 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.06520 159.9
[M+Na]+ 301.04714 169.3
[M-H]- 277.05064 165.9
[M+NH4]+ 296.09174 179.6
[M+K]+ 317.02108 165.1
[M+H-H2O]+ 261.05518 153.9
[M+HCOO]- 323.05612 181.6
[M+CH3COO]- 337.07177 200.6
[M+Na-2H]- 299.03259 163.2
[M]+ 278.05737 163.7
[M]- 278.05847 163.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe