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 157.9
[M+Na]+ 259.07294 168.0
[M-H]- 235.07644 165.0
[M+NH4]+ 254.11754 177.3
[M+K]+ 275.04688 165.3
[M+H-H2O]+ 219.08098 158.9
[M+HCOO]- 281.08192 171.5
[M+CH3COO]- 295.09757 169.1
[M+Na-2H]- 257.05839 168.4
[M]+ 236.08317 159.0
[M]- 236.08427 159.0
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.