CID 5464637

Caloxanthone f

Structural Information

Molecular Formula
C18H16O5
SMILES
CC(C)(C1CC2=C(O1)C3=C(C=C2)C(=O)C4=C(C=CC=C4O3)O)O
InChI
InChI=1S/C18H16O5/c1-18(2,21)13-8-9-6-7-10-15(20)14-11(19)4-3-5-12(14)22-17(10)16(9)23-13/h3-7,13,19,21H,8H2,1-2H3
InChIKey
AUACLMGLHMJOTC-UHFFFAOYSA-N
Compound name
7-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-c]xanthen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.09976 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.10704 168.2
[M+Na]+ 335.08898 179.6
[M-H]- 311.09248 174.8
[M+NH4]+ 330.13358 184.5
[M+K]+ 351.06292 177.3
[M+H-H2O]+ 295.09702 163.1
[M+HCOO]- 357.09796 184.2
[M+CH3COO]- 371.11361 180.8
[M+Na-2H]- 333.07443 176.3
[M]+ 312.09921 174.0
[M]- 312.10031 174.0
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.