CID 6448153

82885-71-0

Structural Information

Molecular Formula
C20H17ClO3
SMILES
CCOC(=O)/C=C/C1=CC(=CC=C1)C(=O)/C=C/C2=CC=C(C=C2)Cl
InChI
InChI=1S/C20H17ClO3/c1-2-24-20(23)13-9-16-4-3-5-17(14-16)19(22)12-8-15-6-10-18(21)11-7-15/h3-14H,2H2,1H3/b12-8+,13-9+
InChIKey
MPMYNCUDKKYWRG-QHKWOANTSA-N
Compound name
ethyl (E)-3-[3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]phenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

340.0866 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.09388 178.8
[M+Na]+ 363.07582 186.2
[M-H]- 339.07932 185.0
[M+NH4]+ 358.12042 193.0
[M+K]+ 379.04976 179.4
[M+H-H2O]+ 323.08386 171.5
[M+HCOO]- 385.08480 196.1
[M+CH3COO]- 399.10045 208.5
[M+Na-2H]- 361.06127 179.4
[M]+ 340.08605 183.1
[M]- 340.08715 183.1
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

patents stripe