CID 16217492

324-58-3

Structural Information

Molecular Formula
C15H9ClFN
SMILES
C1=CC(=CC=C1/C=C(\C#N)/C2=CC=C(C=C2)Cl)F
InChI
InChI=1S/C15H9ClFN/c16-14-5-3-12(4-6-14)13(10-18)9-11-1-7-15(17)8-2-11/h1-9H/b13-9+
InChIKey
PXJDWVFBYVYGRZ-UKTHLTGXSA-N
Compound name
(Z)-2-(4-chlorophenyl)-3-(4-fluorophenyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.04074 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.04802 158.4
[M+Na]+ 280.02996 170.0
[M-H]- 256.03346 162.5
[M+NH4]+ 275.07456 174.3
[M+K]+ 296.00390 161.3
[M+H-H2O]+ 240.03800 144.9
[M+HCOO]- 302.03894 173.0
[M+CH3COO]- 316.05459 205.1
[M+Na-2H]- 278.01541 161.5
[M]+ 257.04019 153.1
[M]- 257.04129 153.1
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.