CID 5375774

4-cyanostilbene

Structural Information

Molecular Formula

C₁₅H₁₁N

SMILES

C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)C#N

InChI

InChI=1S/C15H11N/c16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-11H/b7-6+

InChIKey

WQUHPLQCUQJSQW-VOTSOKGWSA-N

Compound name

4-[(E)-2-phenylethenyl]benzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 187
Patents: 205.08914 Da
Monoisotopic Mass: 4.2
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]+	206.09642	150.6
[M+Na]+	228.07836	160.8
[M-H]-	204.08186	155.9
[M+NH4]+	223.12296	167.4
[M+K]+	244.05230	153.8
[M+H-H2O]+	188.08640	137.1
[M+HCOO]-	250.08734	171.0
[M+CH3COO]-	264.10299	162.0
[M+Na-2H]-	226.06381	156.4
[M]+	205.08859	144.5
[M]-	205.08969	144.5

Literature stripe

literature stripe

Patent stripe

patents stripe