CID 79677

2,2-diphenylpropiononitrile

Structural Information

Molecular Formula
C15H13N
SMILES
CC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C15H13N/c1-15(12-16,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3
InChIKey
DPVHBXFSKLKYIQ-UHFFFAOYSA-N
Compound name
2,2-diphenylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

137
Patents

207.1048 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.112076 154.1
[M+Na]+ 230.094018 163.5
[M-H]- 206.097524 159.3
[M+NH4]+ 225.138623 170.7
[M+K]+ 246.067958 157.5
[M+H-H2O]+ 190.102060 140.8
[M+HCOO]- 252.103001 172.9
[M+CH3COO]- 266.118651 198.4
[M+Na-2H]- 228.079466 160.9
[M]+ 207.10425142 147.9
[M]- 207.10534858 147.9
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