CID 5772331

Nsc174242

Structural Information

Molecular Formula
C21H14ClN
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)/C=C(\C#N)/C3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H14ClN/c22-21-12-10-19(11-13-21)20(15-23)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-14H/b20-14+
InChIKey
AJXMIAVCEVDVLB-XSFVSMFZSA-N
Compound name
(Z)-2-(4-chlorophenyl)-3-(4-phenylphenyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.08148 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.08876 182.0
[M+Na]+ 338.07070 192.8
[M-H]- 314.07420 188.9
[M+NH4]+ 333.11530 195.1
[M+K]+ 354.04464 181.6
[M+H-H2O]+ 298.07874 167.4
[M+HCOO]- 360.07968 196.5
[M+CH3COO]- 374.09533 191.2
[M+Na-2H]- 336.05615 184.2
[M]+ 315.08093 177.0
[M]- 315.08203 177.0
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

No patent data available for this compound.