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

38
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 163.5
[M+Na]+ 296.00042 175.7
[M-H]- 272.00392 168.3
[M+NH4]+ 291.04502 179.3
[M+K]+ 311.97436 166.0
[M+H-H2O]+ 256.00846 151.6
[M+HCOO]- 318.00940 174.4
[M+CH3COO]- 332.02505 174.1
[M+Na-2H]- 293.98587 166.3
[M]+ 273.01065 160.5
[M]- 273.01175 160.5
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

patents stripe