CID 15321

[1,1'-biphenyl]-4,4'-dicarbonitrile

Structural Information

Molecular Formula
C14H8N2
SMILES
C1=CC(=CC=C1C#N)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C14H8N2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8H
InChIKey
KAXYYLCSSXFXKR-UHFFFAOYSA-N
Compound name
4-(4-cyanophenyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

4
References

416
Patents

204.06874 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.076016 161.4
[M+Na]+ 227.057958 172.5
[M-H]- 203.061464 166.0
[M+NH4]+ 222.102563 173.7
[M+K]+ 243.031898 165.7
[M+H-H2O]+ 187.066000 145.7
[M+HCOO]- 249.066941 174.3
[M+CH3COO]- 263.082591 169.0
[M+Na-2H]- 225.043406 163.8
[M]+ 204.06819142 152.7
[M]- 204.06928858 152.7
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