CID 6440353

2-(chlorophenyl)-5-phenyl-2,4-pentadienenitrile

Structural Information

Molecular Formula
C17H12ClN
SMILES
C1=CC=C(C=C1)/C=C/C=C(/C#N)\C2=CC=CC=C2Cl
InChI
InChI=1S/C17H12ClN/c18-17-12-5-4-11-16(17)15(13-19)10-6-9-14-7-2-1-3-8-14/h1-12H/b9-6+,15-10-
InChIKey
NBWHBAAWYGCURI-ZLRVCTSNSA-N
Compound name
(2E,4E)-2-(2-chlorophenyl)-5-phenylpenta-2,4-dienenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.06583 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.07311 163.1
[M+Na]+ 288.05505 178.1
[M+NH4]+ 283.09965 168.8
[M+K]+ 304.02899 165.1
[M-H]- 264.05855 160.5
[M+Na-2H]- 286.04050 169.7
[M]+ 265.06528 164.1
[M]- 265.06638 164.1
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.