CID 66660528

1-(4-biphenylyl)cyclopropanecarbonitrile

Structural Information

Molecular Formula
C16H13N
SMILES
C1CC1(C#N)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H13N/c17-12-16(10-11-16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9H,10-11H2
InChIKey
XEVZEABICZWQBJ-UHFFFAOYSA-N
Compound name
1-(4-phenylphenyl)cyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

219.1048 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.11208 154.7
[M+Na]+ 242.09402 170.8
[M+NH4]+ 237.13862 163.1
[M+K]+ 258.06796 158.6
[M-H]- 218.09752 160.3
[M+Na-2H]- 240.07947 166.3
[M]+ 219.10425 159.3
[M]- 219.10535 159.3
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