CID 14026185

1-bromo-4-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}benzene

Structural Information

Molecular Formula
C13H19BrO4
SMILES
COCCOCCOCCOC1=CC=C(C=C1)Br
InChI
InChI=1S/C13H19BrO4/c1-15-6-7-16-8-9-17-10-11-18-13-4-2-12(14)3-5-13/h2-5H,6-11H2,1H3
InChIKey
XYMRNKPBIQIHHI-UHFFFAOYSA-N
Compound name
1-bromo-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

318.04666 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.053936 164.0
[M+Na]+ 341.035878 173.3
[M-H]- 317.039384 169.4
[M+NH4]+ 336.080483 182.2
[M+K]+ 357.009818 163.4
[M+H-H2O]+ 301.043920 162.6
[M+HCOO]- 363.044861 185.4
[M+CH3COO]- 377.060511 201.7
[M+Na-2H]- 339.021326 170.2
[M]+ 318.04611142 189.4
[M]- 318.04720858 189.4
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