CID 95437

4,4'-dicyanostilbene

Structural Information

Molecular Formula
C16H10N2
SMILES
C1=CC(=CC=C1C=CC2=CC=C(C=C2)C#N)C#N
InChI
InChI=1S/C16H10N2/c17-11-15-7-3-13(4-8-15)1-2-14-5-9-16(12-18)10-6-14/h1-10H
InChIKey
RNIZPDIBRXCMRD-UHFFFAOYSA-N
Compound name
4-[2-(4-cyanophenyl)ethenyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

135
Patents

230.0844 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.091676 168.3
[M+Na]+ 253.073618 179.1
[M-H]- 229.077124 172.7
[M+NH4]+ 248.118223 179.9
[M+K]+ 269.047558 171.5
[M+H-H2O]+ 213.081660 152.3
[M+HCOO]- 275.082601 180.9
[M+CH3COO]- 289.098251 175.3
[M+Na-2H]- 251.059066 169.8
[M]+ 230.08385142 159.6
[M]- 230.08494858 159.6
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