CID 67456

Benzo[kl]xanthene

Structural Information

Molecular Formula
C16H10O
SMILES
C1=CC=C2C(=C1)C3=CC=CC4=C3C(=CC=C4)O2
InChI
InChI=1S/C16H10O/c1-2-9-14-12(7-1)13-8-3-5-11-6-4-10-15(17-14)16(11)13/h1-10H
InChIKey
QKOSFCWXOIAFTO-UHFFFAOYSA-N
Compound name
8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

66
Patents

218.07317 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.08045 143.3
[M+Na]+ 241.06239 152.7
[M-H]- 217.06589 149.8
[M+NH4]+ 236.10699 163.7
[M+K]+ 257.03633 148.7
[M+H-H2O]+ 201.07043 135.8
[M+HCOO]- 263.07137 162.8
[M+CH3COO]- 277.08702 156.8
[M+Na-2H]- 239.04784 155.6
[M]+ 218.07262 144.8
[M]- 218.07372 144.8
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.