CID 19822404

125562-29-0

Structural Information

Molecular Formula
C13H27BrO6
SMILES
COCCOCCOCCOCCOCCOCCBr
InChI
InChI=1S/C13H27BrO6/c1-15-4-5-17-8-9-19-12-13-20-11-10-18-7-6-16-3-2-14/h2-13H2,1H3
InChIKey
GFRLIPYEIIWDJX-UHFFFAOYSA-N
Compound name
1-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

358.0991 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.10638 174.7
[M+Na]+ 381.08832 181.8
[M-H]- 357.09182 175.9
[M+NH4]+ 376.13292 191.1
[M+K]+ 397.06226 172.8
[M+H-H2O]+ 341.09636 172.6
[M+HCOO]- 403.09730 194.8
[M+CH3COO]- 417.11295 208.6
[M+Na-2H]- 379.07377 179.2
[M]+ 358.09855 204.6
[M]- 358.09965 204.6
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