CID 18021

4-cyanobiphenyl

Structural Information

Molecular Formula
C13H9N
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C13H9N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H
InChIKey
BPMBNLJJRKCCRT-UHFFFAOYSA-N
Compound name
4-phenylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

2907
Patents

179.0735 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08078 142.0
[M+Na]+ 202.06272 152.7
[M-H]- 178.06622 147.6
[M+NH4]+ 197.10732 159.9
[M+K]+ 218.03666 146.8
[M+H-H2O]+ 162.07076 128.9
[M+HCOO]- 224.07170 163.0
[M+CH3COO]- 238.08735 154.3
[M+Na-2H]- 200.04817 149.0
[M]+ 179.07295 136.1
[M]- 179.07405 136.1
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