CID 4304993

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

228.05533 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.062606 146.4
[M+Na]+ 251.044548 154.9
[M-H]- 227.048054 149.8
[M+NH4]+ 246.089153 165.5
[M+K]+ 267.018488 151.5
[M+H-H2O]+ 211.052590 141.0
[M+HCOO]- 273.053531 166.7
[M+CH3COO]- 287.069181 187.5
[M+Na-2H]- 249.029996 152.5
[M]+ 228.05478142 153.1
[M]- 228.05587858 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

patents stripe