CID 912043

M-chlorobenzylidene-p-chlorophenylacetonitrile

Structural Information

Molecular Formula
C15H9Cl2N
SMILES
C1=CC(=CC(=C1)Cl)/C=C(\C#N)/C2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H9Cl2N/c16-14-6-4-12(5-7-14)13(10-18)8-11-2-1-3-15(17)9-11/h1-9H/b13-8+
InChIKey
QKPFBKLGLGRHFG-MDWZMJQESA-N
Compound name
(Z)-3-(3-chlorophenyl)-2-(4-chlorophenyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

273.0112 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.01848 158.4
[M+Na]+ 296.00042 174.4
[M+NH4]+ 291.04502 164.7
[M+K]+ 311.97436 161.8
[M-H]- 272.00392 156.2
[M+Na-2H]- 293.98587 165.5
[M]+ 273.01065 160.0
[M]- 273.01175 160.0
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

patents stripe