CID 736230

3695-93-0

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.