CID 6364544

54513-47-2

Structural Information

Molecular Formula
C20H23ClO
SMILES
CCCCC1=CC=C(C=C1)/C(=C\C2=CC=C(C=C2)OCC)/Cl
InChI
InChI=1S/C20H23ClO/c1-3-5-6-16-7-11-18(12-8-16)20(21)15-17-9-13-19(14-10-17)22-4-2/h7-15H,3-6H2,1-2H3/b20-15+
InChIKey
YEJFQWHGEFCWJX-HMMYKYKNSA-N
Compound name
1-butyl-4-[(E)-1-chloro-2-(4-ethoxyphenyl)ethenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.14374 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.15102 176.1
[M+Na]+ 337.13296 182.9
[M-H]- 313.13646 182.0
[M+NH4]+ 332.17756 191.7
[M+K]+ 353.10690 176.1
[M+H-H2O]+ 297.14100 168.7
[M+HCOO]- 359.14194 193.3
[M+CH3COO]- 373.15759 207.3
[M+Na-2H]- 335.11841 177.7
[M]+ 314.14319 180.3
[M]- 314.14429 180.3
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.