CID 5272186

2-(7-oxaldehydoyl-9h-xanthen-2-yl)-2-oxo-acetaldehyde

Structural Information

Molecular Formula
C17H10O5
SMILES
C1C2=C(C=CC(=C2)C(=O)C=O)OC3=C1C=C(C=C3)C(=O)C=O
InChI
InChI=1S/C17H10O5/c18-8-14(20)10-1-3-16-12(5-10)7-13-6-11(15(21)9-19)2-4-17(13)22-16/h1-6,8-9H,7H2
InChIKey
YNFWWWQWGLBFNY-UHFFFAOYSA-N
Compound name
2-(7-oxaldehydoyl-9H-xanthen-2-yl)-2-oxoacetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.05283 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.06011 160.9
[M+Na]+ 317.04205 169.4
[M-H]- 293.04555 167.0
[M+NH4]+ 312.08665 176.6
[M+K]+ 333.01599 167.2
[M+H-H2O]+ 277.05009 153.6
[M+HCOO]- 339.05103 179.7
[M+CH3COO]- 353.06668 203.8
[M+Na-2H]- 315.02750 166.8
[M]+ 294.05228 164.5
[M]- 294.05338 164.5
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

No patent data available for this compound.