CID 682089

3-(p-chlorophenyl)-2-phenylacrylonitrile

Structural Information

Molecular Formula
C15H10ClN
SMILES
C1=CC=C(C=C1)/C(=C/C2=CC=C(C=C2)Cl)/C#N
InChI
InChI=1S/C15H10ClN/c16-15-8-6-12(7-9-15)10-14(11-17)13-4-2-1-3-5-13/h1-10H/b14-10+
InChIKey
WHZUHCZQGFNGNH-GXDHUFHOSA-N
Compound name
(Z)-3-(4-chlorophenyl)-2-phenylprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

31
Patents

239.05017 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.05745 158.1
[M+Na]+ 262.03939 169.1
[M-H]- 238.04289 163.3
[M+NH4]+ 257.08399 174.5
[M+K]+ 278.01333 160.5
[M+H-H2O]+ 222.04743 145.4
[M+HCOO]- 284.04837 173.6
[M+CH3COO]- 298.06402 169.1
[M+Na-2H]- 260.02484 162.3
[M]+ 239.04962 153.5
[M]- 239.05072 153.5
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