CID 75451083

1,3-diethyl 2-(2-fluorophenyl)-2-methylpropanedioate

Structural Information

Molecular Formula
C14H17FO4
SMILES
CCOC(=O)C(C)(C1=CC=CC=C1F)C(=O)OCC
InChI
InChI=1S/C14H17FO4/c1-4-18-12(16)14(3,13(17)19-5-2)10-8-6-7-9-11(10)15/h6-9H,4-5H2,1-3H3
InChIKey
VYHCCMAXTNDVNY-UHFFFAOYSA-N
Compound name
diethyl 2-(2-fluorophenyl)-2-methylpropanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.11108 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11836 159.1
[M+Na]+ 291.10030 165.8
[M-H]- 267.10380 161.3
[M+NH4]+ 286.14490 175.6
[M+K]+ 307.07424 164.7
[M+H-H2O]+ 251.10834 152.1
[M+HCOO]- 313.10928 178.7
[M+CH3COO]- 327.12493 197.3
[M+Na-2H]- 289.08575 161.9
[M]+ 268.11053 162.6
[M]- 268.11163 162.6
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.