CID 3061817

79781-90-1

Structural Information

Molecular Formula
C18H18F2O3
SMILES
CCOC(=O)C(C)(C)OC1=CC=C(C=C1)C2=C(C=C(C=C2)F)F
InChI
InChI=1S/C18H18F2O3/c1-4-22-17(21)18(2,3)23-14-8-5-12(6-9-14)15-10-7-13(19)11-16(15)20/h5-11H,4H2,1-3H3
InChIKey
FSRRJCXRXQMNBY-UHFFFAOYSA-N
Compound name
ethyl 2-[4-(2,4-difluorophenyl)phenoxy]-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1224 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.12968 172.5
[M+Na]+ 343.11162 180.5
[M-H]- 319.11512 176.8
[M+NH4]+ 338.15622 187.0
[M+K]+ 359.08556 177.1
[M+H-H2O]+ 303.11966 163.1
[M+HCOO]- 365.12060 191.6
[M+CH3COO]- 379.13625 208.7
[M+Na-2H]- 341.09707 174.6
[M]+ 320.12185 174.3
[M]- 320.12295 174.3
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.