CID 141162

24973-49-7

Structural Information

Molecular Formula
C13H9N
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2C#N
InChI
InChI=1S/C13H9N/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-9H
InChIKey
WLPATYNQCGVFFH-UHFFFAOYSA-N
Compound name
2-phenylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

42
References

7838
Patents

179.0735 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08078 142.4
[M+Na]+ 202.06272 157.6
[M+NH4]+ 197.10732 149.0
[M+K]+ 218.03666 145.7
[M-H]- 178.06622 140.5
[M+Na-2H]- 200.04817 150.5
[M]+ 179.07295 143.4
[M]- 179.07405 143.4
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