CID 51337

Brn 2999831

Structural Information

Molecular Formula
C18H19ClO3
SMILES
CCOC(=O)COC1=C(C=C(C=C1)CC2=CC=C(C=C2)Cl)C
InChI
InChI=1S/C18H19ClO3/c1-3-21-18(20)12-22-17-9-6-15(10-13(17)2)11-14-4-7-16(19)8-5-14/h4-10H,3,11-12H2,1-2H3
InChIKey
FKVBTBWXORSLPQ-UHFFFAOYSA-N
Compound name
ethyl 2-[4-[(4-chlorophenyl)methyl]-2-methylphenoxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.10226 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.10954 172.4
[M+Na]+ 341.09148 180.8
[M-H]- 317.09498 179.2
[M+NH4]+ 336.13608 188.0
[M+K]+ 357.06542 175.9
[M+H-H2O]+ 301.09952 165.3
[M+HCOO]- 363.10046 190.8
[M+CH3COO]- 377.11611 206.5
[M+Na-2H]- 339.07693 174.6
[M]+ 318.10171 179.3
[M]- 318.10281 179.3
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.