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

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 149.4
[M+Na]+ 242.09402 165.7
[M-H]- 218.09752 160.1
[M+NH4]+ 237.13862 164.9
[M+K]+ 258.06796 156.6
[M+H-H2O]+ 202.10206 139.0
[M+HCOO]- 264.10300 171.7
[M+CH3COO]- 278.11865 162.8
[M+Na-2H]- 240.07947 157.9
[M]+ 219.10425 147.6
[M]- 219.10535 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