CID 22743

Triphenylacrylonitrile

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

12
References

50
Patents

281.12045 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12773 176.9
[M+Na]+ 304.10967 184.7
[M-H]- 280.11317 183.2
[M+NH4]+ 299.15427 189.5
[M+K]+ 320.08361 175.4
[M+H-H2O]+ 264.11771 161.4
[M+HCOO]- 326.11865 194.3
[M+CH3COO]- 340.13430 185.5
[M+Na-2H]- 302.09512 179.6
[M]+ 281.11990 168.3
[M]- 281.12100 168.3
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