CID 3088257

4-(2-benzofuranylhydroxymethyl)benzonitrile

Structural Information

Molecular Formula
C16H11NO2
SMILES
C1=CC=C2C(=C1)C=C(O2)C(C3=CC=C(C=C3)C#N)O
InChI
InChI=1S/C16H11NO2/c17-10-11-5-7-12(8-6-11)16(18)15-9-13-3-1-2-4-14(13)19-15/h1-9,16,18H
InChIKey
MROLIVLEGPGQPG-UHFFFAOYSA-N
Compound name
4-[1-benzofuran-2-yl(hydroxy)methyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.07898 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.08626 158.4
[M+Na]+ 272.06820 172.9
[M+NH4]+ 267.11280 163.9
[M+K]+ 288.04214 163.9
[M-H]- 248.07170 156.4
[M+Na-2H]- 270.05365 163.7
[M]+ 249.07843 159.3
[M]- 249.07953 159.3
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.