CID 4610840

130413-37-5

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 146.4
[M+Na]+ 251.04455 154.9
[M-H]- 227.04805 149.8
[M+NH4]+ 246.08915 165.5
[M+K]+ 267.01849 151.5
[M+H-H2O]+ 211.05259 141.0
[M+HCOO]- 273.05353 166.7
[M+CH3COO]- 287.06918 187.5
[M+Na-2H]- 249.03000 152.5
[M]+ 228.05478 153.1
[M]- 228.05588 153.1
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.