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

75
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

literature stripe

Patent stripe

patents stripe