CID 6024866

1-(4-chlorophenyl)-5-phenyl-1,4-pentadien-3-one

Structural Information

Molecular Formula
C17H13ClO
SMILES
C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H13ClO/c18-16-10-6-15(7-11-16)9-13-17(19)12-8-14-4-2-1-3-5-14/h1-13H/b12-8+,13-9+
InChIKey
PZAALISHZLYIHV-QHKWOANTSA-N
Compound name
(1E,4E)-1-(4-chlorophenyl)-5-phenylpenta-1,4-dien-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

268.0655 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.07278 160.6
[M+Na]+ 291.05472 168.5
[M-H]- 267.05822 166.8
[M+NH4]+ 286.09932 177.6
[M+K]+ 307.02866 161.2
[M+H-H2O]+ 251.06276 153.8
[M+HCOO]- 313.06370 179.3
[M+CH3COO]- 327.07935 195.0
[M+Na-2H]- 289.04017 164.6
[M]+ 268.06495 161.9
[M]- 268.06605 161.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe