CID 43846

61888-71-9

Structural Information

Molecular Formula
C17H17ClO3
SMILES
CCOC(=O)CC1=CC(=CC(=C1)OC)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H17ClO3/c1-3-21-17(19)10-12-8-14(11-16(9-12)20-2)13-4-6-15(18)7-5-13/h4-9,11H,3,10H2,1-2H3
InChIKey
AOPMXIBPWNMHOD-UHFFFAOYSA-N
Compound name
ethyl 2-[3-(4-chlorophenyl)-5-methoxyphenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.0866 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.09388 167.7
[M+Na]+ 327.07582 176.6
[M-H]- 303.07932 174.7
[M+NH4]+ 322.12042 183.9
[M+K]+ 343.04976 171.9
[M+H-H2O]+ 287.08386 160.8
[M+HCOO]- 349.08480 186.4
[M+CH3COO]- 363.10045 203.6
[M+Na-2H]- 325.06127 170.4
[M]+ 304.08605 174.2
[M]- 304.08715 174.2
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

No patent data available for this compound.