CID 23617693

Schembl11426307

Structural Information

Molecular Formula
C15H10O
SMILES
C1=CC2=CC=C3C(=O)C=CC=C3C=C2C=C1
InChI
InChI=1S/C15H10O/c16-15-7-3-6-13-10-12-5-2-1-4-11(12)8-9-14(13)15/h1-10H
InChIKey
XXKGRUMRCSAGPP-UHFFFAOYSA-N
Compound name
tricyclo[9.4.0.03,8]pentadeca-1,3,5,8,10,12,14-heptaen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

206.07317 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.080446 140.4
[M+Na]+ 229.062388 150.1
[M-H]- 205.065894 148.0
[M+NH4]+ 224.106993 160.8
[M+K]+ 245.036328 149.3
[M+H-H2O]+ 189.070430 136.8
[M+HCOO]- 251.071371 164.0
[M+CH3COO]- 265.087021 154.6
[M+Na-2H]- 227.047836 150.9
[M]+ 206.07262142 139.9
[M]- 206.07371858 139.9
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