CID 6450896

3-(1,1'-biphenyl)-4-yl-2-phenylacrylonitrile

Structural Information

Molecular Formula
C21H15N
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)/C=C(/C#N)\C3=CC=CC=C3
InChI
InChI=1S/C21H15N/c22-16-21(19-9-5-2-6-10-19)15-17-11-13-20(14-12-17)18-7-3-1-4-8-18/h1-15H/b21-15-
InChIKey
OIFIBIHDOBPTDR-QNGOZBTKSA-N
Compound name
(E)-2-phenyl-3-(4-phenylphenyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.12045 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12773 175.7
[M+Na]+ 304.10967 184.7
[M-H]- 280.11317 182.5
[M+NH4]+ 299.15427 188.8
[M+K]+ 320.08361 175.1
[M+H-H2O]+ 264.11771 160.4
[M+HCOO]- 326.11865 194.2
[M+CH3COO]- 340.13430 184.9
[M+Na-2H]- 302.09512 179.0
[M]+ 281.11990 168.1
[M]- 281.12100 168.1
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.