CID 98397

2,2-diphenylcyclopropanecarbonitrile

Structural Information

Molecular Formula
C16H13N
SMILES
C1C(C1(C2=CC=CC=C2)C3=CC=CC=C3)C#N
InChI
InChI=1S/C16H13N/c17-12-15-11-16(15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11H2
InChIKey
DHLFXGMJDRNWME-UHFFFAOYSA-N
Compound name
2,2-diphenylcyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
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

literature stripe

Patent stripe

patents stripe