CID 185034

Sainfuran

Structural Information

Molecular Formula
C16H14O5
SMILES
COC1=CC(=C(C=C1)C2=CC3=CC(=C(C=C3O2)OC)O)O
InChI
InChI=1S/C16H14O5/c1-19-10-3-4-11(12(17)7-10)15-6-9-5-13(18)16(20-2)8-14(9)21-15/h3-8,17-18H,1-2H3
InChIKey
BVSPXSLCUKWRNP-UHFFFAOYSA-N
Compound name
2-(2-hydroxy-4-methoxyphenyl)-6-methoxy-1-benzofuran-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

286.08414 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.091416 160.8
[M+Na]+ 309.073358 172.2
[M-H]- 285.076864 168.4
[M+NH4]+ 304.117963 177.5
[M+K]+ 325.047298 169.7
[M+H-H2O]+ 269.081400 154.6
[M+HCOO]- 331.082341 183.5
[M+CH3COO]- 345.097991 196.9
[M+Na-2H]- 307.058806 165.9
[M]+ 286.08359142 167.8
[M]- 286.08468858 167.8
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