CID 169964

37780-79-3

Structural Information

Molecular Formula

C₁₇H₁₁NO

SMILES

C1=CC=C2C(=C1)C=C(O2)C=CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H11NO/c18-12-14-7-5-13(6-8-14)9-10-16-11-15-3-1-2-4-17(15)19-16/h1-11H

InChIKey

CXNNRNMUZUHBDI-UHFFFAOYSA-N

Compound name

4-[2-(1-benzofuran-2-yl)ethenyl]benzonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 245.08406 Da
Monoisotopic Mass: 4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	246.09134	161.0
[M+Na]+	268.07328	174.0
[M-H]-	244.07678	167.9
[M+NH4]+	263.11788	178.0
[M+K]+	284.04722	166.1
[M+H-H2O]+	228.08132	147.5
[M+HCOO]-	290.08226	181.9
[M+CH3COO]-	304.09791	173.0
[M+Na-2H]-	266.05873	166.7
[M]+	245.08351	158.5
[M]-	245.08461	158.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe