CID 66660528

92855-14-6

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

32
Patents

219.1048 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.112076 149.4
[M+Na]+ 242.094018 165.7
[M-H]- 218.097524 160.1
[M+NH4]+ 237.138623 164.9
[M+K]+ 258.067958 156.6
[M+H-H2O]+ 202.102060 139.0
[M+HCOO]- 264.103001 171.7
[M+CH3COO]- 278.118651 162.8
[M+Na-2H]- 240.079466 157.9
[M]+ 219.10425142 147.6
[M]- 219.10534858 147.6
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