CID 5346335

86711-44-6

Structural Information

Molecular Formula
C22H17ClO2
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=C/C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H17ClO2/c23-20-11-9-19(10-12-20)22(24)15-8-17-6-13-21(14-7-17)25-16-18-4-2-1-3-5-18/h1-15H,16H2/b15-8+
InChIKey
AKYYUDMOJHBIGY-OVCLIPMQSA-N
Compound name
(E)-1-(4-chlorophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

348.0917 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.09898 182.6
[M+Na]+ 371.08092 189.9
[M-H]- 347.08442 191.6
[M+NH4]+ 366.12552 195.8
[M+K]+ 387.05486 182.3
[M+H-H2O]+ 331.08896 173.5
[M+HCOO]- 393.08990 200.6
[M+CH3COO]- 407.10555 210.4
[M+Na-2H]- 369.06637 185.4
[M]+ 348.09115 185.5
[M]- 348.09225 185.5
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