CID 597531

4-benzylphenylacetonitrile

Structural Information

Molecular Formula
C15H13N
SMILES
C1=CC=C(C=C1)CC2=CC=C(C=C2)CC#N
InChI
InChI=1S/C15H13N/c16-11-10-13-6-8-15(9-7-13)12-14-4-2-1-3-5-14/h1-9H,10,12H2
InChIKey
RNZDBGKQDKFAPR-UHFFFAOYSA-N
Compound name
2-(4-benzylphenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

207.1048 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.11208 150.1
[M+Na]+ 230.09402 160.0
[M-H]- 206.09752 155.3
[M+NH4]+ 225.13862 166.9
[M+K]+ 246.06796 153.5
[M+H-H2O]+ 190.10206 136.6
[M+HCOO]- 252.10300 170.4
[M+CH3COO]- 266.11865 161.5
[M+Na-2H]- 228.07947 156.1
[M]+ 207.10425 144.7
[M]- 207.10535 144.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe