CID 656953

[5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-yl]acetonitrile

Structural Information

Molecular Formula
C16H11NO3
SMILES
C1=CC(=CC=C1C2=CC3=CC(=CC(=C3O2)CC#N)O)O
InChI
InChI=1S/C16H11NO3/c17-6-5-11-7-14(19)8-12-9-15(20-16(11)12)10-1-3-13(18)4-2-10/h1-4,7-9,18-19H,5H2
InChIKey
ZKJVCUXZMYKTLT-UHFFFAOYSA-N
Compound name
2-[5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

63
Patents

265.07388 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.08116 163.8
[M+Na]+ 288.06310 177.2
[M-H]- 264.06660 169.1
[M+NH4]+ 283.10770 179.2
[M+K]+ 304.03704 170.3
[M+H-H2O]+ 248.07114 151.0
[M+HCOO]- 310.07208 182.5
[M+CH3COO]- 324.08773 175.3
[M+Na-2H]- 286.04855 168.1
[M]+ 265.07333 161.7
[M]- 265.07443 161.7
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