CID 1268120

2,3-diphenylacrylonitrile

Structural Information

Molecular Formula
C15H11N
SMILES
C1=CC=C(C=C1)/C=C(/C#N)\C2=CC=CC=C2
InChI
InChI=1S/C15H11N/c16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-11H/b15-11-
InChIKey
VFOKYTYWXOYPOX-PTNGSMBKSA-N
Compound name
(E)-2,3-diphenylprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

14
References

2465
Patents

205.08914 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09642 152.2
[M+Na]+ 228.07836 161.4
[M-H]- 204.08186 157.2
[M+NH4]+ 223.12296 168.7
[M+K]+ 244.05230 154.6
[M+H-H2O]+ 188.08640 138.6
[M+HCOO]- 250.08734 171.7
[M+CH3COO]- 264.10299 163.1
[M+Na-2H]- 226.06381 157.5
[M]+ 205.08859 145.1
[M]- 205.08969 145.1
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