CID 213699

Brn 1288236

Structural Information

Molecular Formula
C16H12O2
SMILES
C1C2C3=CC=CC=C3C(C4=CC=CC=C41)OC2=O
InChI
InChI=1S/C16H12O2/c17-16-14-9-10-5-1-2-6-11(10)15(18-16)13-8-4-3-7-12(13)14/h1-8,14-15H,9H2
InChIKey
ABMYJIHFDLMBOF-UHFFFAOYSA-N
Compound name
16-oxatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-17-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.08372 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.09100 147.2
[M+Na]+ 259.07294 156.0
[M+NH4]+ 254.11754 155.2
[M+K]+ 275.04688 152.3
[M-H]- 235.07644 149.1
[M+Na-2H]- 257.05839 149.3
[M]+ 236.08317 149.3
[M]- 236.08427 149.3
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.