CID 16217490

(z)-2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)acrylonitrile

Structural Information

Molecular Formula
C15H8Cl2FN
SMILES
C1=CC(=CC=C1/C=C(\C#N)/C2=C(C=C(C=C2)Cl)Cl)F
InChI
InChI=1S/C15H8Cl2FN/c16-12-3-6-14(15(17)8-12)11(9-19)7-10-1-4-13(18)5-2-10/h1-8H/b11-7+
InChIKey
WDZDQWFTUNQXBS-YRNVUSSQSA-N
Compound name
(Z)-2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.00177 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.00905 163.2
[M+Na]+ 313.99099 176.2
[M-H]- 289.99449 167.1
[M+NH4]+ 309.03559 178.6
[M+K]+ 329.96493 166.3
[M+H-H2O]+ 273.99903 150.8
[M+HCOO]- 335.99997 173.3
[M+CH3COO]- 350.01562 173.7
[M+Na-2H]- 311.97644 165.1
[M]+ 291.00122 159.7
[M]- 291.00232 159.7
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.