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

251
Patents

205.08914 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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.