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

5
Patents

318.04666 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.05394 164.0
[M+Na]+ 341.03588 173.3
[M-H]- 317.03938 169.4
[M+NH4]+ 336.08048 182.2
[M+K]+ 357.00982 163.4
[M+H-H2O]+ 301.04392 162.6
[M+HCOO]- 363.04486 185.4
[M+CH3COO]- 377.06051 201.7
[M+Na-2H]- 339.02133 170.2
[M]+ 318.04611 189.4
[M]- 318.04721 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