CID 4610840

4-(2-(2-chloroethoxy)ethoxy)benzaldehyde

Structural Information

Molecular Formula
C11H13ClO3
SMILES
C1=CC(=CC=C1C=O)OCCOCCCl
InChI
InChI=1S/C11H13ClO3/c12-5-6-14-7-8-15-11-3-1-10(9-13)2-4-11/h1-4,9H,5-8H2
InChIKey
IAHHPUOOWYVGHG-UHFFFAOYSA-N
Compound name
4-[2-(2-chloroethoxy)ethoxy]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.05533 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.06261 146.5
[M+Na]+ 251.04455 159.9
[M+NH4]+ 246.08915 154.7
[M+K]+ 267.01849 152.2
[M-H]- 227.04805 148.2
[M+Na-2H]- 249.03000 153.3
[M]+ 228.05478 149.1
[M]- 228.05588 149.1
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.