CID 273541

Nsc118828

Structural Information

Molecular Formula
C17H14O4
SMILES
C1C2C(OC1=O)OC3=C2C(=CC=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C17H14O4/c18-15-9-12-16-13(19-10-11-5-2-1-3-6-11)7-4-8-14(16)20-17(12)21-15/h1-8,12,17H,9-10H2
InChIKey
YFBWXGOXHXSORX-UHFFFAOYSA-N
Compound name
8-phenylmethoxy-3a,8b-dihydro-1H-furo[2,3-b][1]benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.0892 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09648 160.3
[M+Na]+ 305.07842 169.2
[M-H]- 281.08192 170.5
[M+NH4]+ 300.12302 179.0
[M+K]+ 321.05236 167.6
[M+H-H2O]+ 265.08646 155.1
[M+HCOO]- 327.08740 181.0
[M+CH3COO]- 341.10305 173.7
[M+Na-2H]- 303.06387 164.5
[M]+ 282.08865 164.1
[M]- 282.08975 164.1
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.