CID 72734

Xyloidone

Structural Information

Molecular Formula
C15H12O3
SMILES
CC1(C=CC2=C(O1)C(=O)C3=CC=CC=C3C2=O)C
InChI
InChI=1S/C15H12O3/c1-15(2)8-7-11-12(16)9-5-3-4-6-10(9)13(17)14(11)18-15/h3-8H,1-2H3
InChIKey
OWFHAMHRUCUSRM-UHFFFAOYSA-N
Compound name
2,2-dimethylbenzo[g]chromene-5,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

37
Patents

240.07864 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08592 149.0
[M+Na]+ 263.06786 159.9
[M-H]- 239.07136 155.9
[M+NH4]+ 258.11246 170.0
[M+K]+ 279.04180 157.3
[M+H-H2O]+ 223.07590 142.7
[M+HCOO]- 285.07684 168.4
[M+CH3COO]- 299.09249 162.9
[M+Na-2H]- 261.05331 157.6
[M]+ 240.07809 151.1
[M]- 240.07919 151.1
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