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 166.8
[M+Na]+ 288.05505 177.3
[M-H]- 264.05855 171.6
[M+NH4]+ 283.09965 182.2
[M+K]+ 304.02899 167.7
[M+H-H2O]+ 248.06309 153.7
[M+HCOO]- 310.06403 181.8
[M+CH3COO]- 324.07968 205.7
[M+Na-2H]- 286.04050 169.8
[M]+ 265.06528 162.0
[M]- 265.06638 162.0
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

No patent data available for this compound.