CID 2415288

3-ethoxy-4-[2-(4-fluorophenoxy)ethoxy]benzaldehyde

Structural Information

Molecular Formula
C17H17FO4
SMILES
CCOC1=C(C=CC(=C1)C=O)OCCOC2=CC=C(C=C2)F
InChI
InChI=1S/C17H17FO4/c1-2-20-17-11-13(12-19)3-8-16(17)22-10-9-21-15-6-4-14(18)5-7-15/h3-8,11-12H,2,9-10H2,1H3
InChIKey
OMYCFNNIOYJEEX-UHFFFAOYSA-N
Compound name
3-ethoxy-4-[2-(4-fluorophenoxy)ethoxy]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.11108 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.11836 167.8
[M+Na]+ 327.10030 175.8
[M-H]- 303.10380 173.2
[M+NH4]+ 322.14490 182.8
[M+K]+ 343.07424 172.6
[M+H-H2O]+ 287.10834 158.5
[M+HCOO]- 349.10928 191.0
[M+CH3COO]- 363.12493 204.5
[M+Na-2H]- 325.08575 171.5
[M]+ 304.11053 173.0
[M]- 304.11163 173.0
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.