CID 263055

Nsc97286

Structural Information

Molecular Formula
C16H12O5
SMILES
C1CC2(C3=C(C=C(C=C3)O)OC4=C2C=CC(=C4)O)OC1=O
InChI
InChI=1S/C16H12O5/c17-9-1-3-11-13(7-9)20-14-8-10(18)2-4-12(14)16(11)6-5-15(19)21-16/h1-4,7-8,17-18H,5-6H2
InChIKey
NVCAQTQOTOXMQY-UHFFFAOYSA-N
Compound name
3',6'-dihydroxyspiro[oxolane-5,9'-xanthene]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

284.06848 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.07576 159.0
[M+Na]+ 307.05770 169.1
[M-H]- 283.06120 166.2
[M+NH4]+ 302.10230 177.2
[M+K]+ 323.03164 166.7
[M+H-H2O]+ 267.06574 153.4
[M+HCOO]- 329.06668 174.8
[M+CH3COO]- 343.08233 171.6
[M+Na-2H]- 305.04315 166.1
[M]+ 284.06793 159.9
[M]- 284.06903 159.9
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

No patent data available for this compound.