CID 300442

10466-37-2

Structural Information

Molecular Formula
C15H10N2
SMILES
C1=CC(=CC=C1CC2=CC=C(C=C2)C#N)C#N
InChI
InChI=1S/C15H10N2/c16-10-14-5-1-12(2-6-14)9-13-3-7-15(11-17)8-4-13/h1-8H,9H2
InChIKey
QHPFUQAZWHBITN-UHFFFAOYSA-N
Compound name
4-[(4-cyanophenyl)methyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

204
Patents

218.0844 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.09168 164.0
[M+Na]+ 241.07362 174.9
[M-H]- 217.07712 168.6
[M+NH4]+ 236.11822 176.0
[M+K]+ 257.04756 167.9
[M+H-H2O]+ 201.08166 148.2
[M+HCOO]- 263.08260 176.8
[M+CH3COO]- 277.09825 171.4
[M+Na-2H]- 239.05907 166.1
[M]+ 218.08385 155.6
[M]- 218.08495 155.6
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