CID 75295

2286-54-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

69
Patents

207.1048 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.11208 151.7
[M+Na]+ 230.09402 160.5
[M-H]- 206.09752 156.6
[M+NH4]+ 225.13862 168.1
[M+K]+ 246.06796 154.3
[M+H-H2O]+ 190.10206 138.0
[M+HCOO]- 252.10300 171.0
[M+CH3COO]- 266.11865 162.6
[M+Na-2H]- 228.07947 157.1
[M]+ 207.10425 145.4
[M]- 207.10535 145.4
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