CID 120040

Einecs 249-203-8

Structural Information

Molecular Formula
C16H10O3
SMILES
C1C2=CC=CC=C2OC(=O)C3=C1OC4=CC=CC=C43
InChI
InChI=1S/C16H10O3/c17-16-15-11-6-2-4-8-13(11)18-14(15)9-10-5-1-3-7-12(10)19-16/h1-8H,9H2
InChIKey
OEKVSUAFJUBCDI-UHFFFAOYSA-N
Compound name
6H-[1]benzofuro[3,2-c][1]benzoxepin-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.06299 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.07027 149.8
[M+Na]+ 273.05221 160.5
[M-H]- 249.05571 159.9
[M+NH4]+ 268.09681 168.7
[M+K]+ 289.02615 161.1
[M+H-H2O]+ 233.06025 146.6
[M+HCOO]- 295.06119 170.7
[M+CH3COO]- 309.07684 164.0
[M+Na-2H]- 271.03766 159.2
[M]+ 250.06244 152.1
[M]- 250.06354 152.1
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.