CID 95296

2,3-diphenylpropanenitrile

Structural Information

Molecular Formula
C15H13N
SMILES
C1=CC=C(C=C1)CC(C#N)C2=CC=CC=C2
InChI
InChI=1S/C15H13N/c16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,15H,11H2
InChIKey
DRONDEZXOJEUGU-UHFFFAOYSA-N
Compound name
2,3-diphenylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

57
Patents

207.1048 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.11208 151.8
[M+Na]+ 230.09402 166.0
[M+NH4]+ 225.13862 158.0
[M+K]+ 246.06796 154.2
[M-H]- 206.09752 149.6
[M+Na-2H]- 228.07947 159.2
[M]+ 207.10425 152.6
[M]- 207.10535 152.6
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