CID 19822384

125562-30-3

Structural Information

Molecular Formula
C19H39BrO9
SMILES
COCCOCCOCCOCCOCCOCCOCCOCCOCCBr
InChI
InChI=1S/C19H39BrO9/c1-21-4-5-23-8-9-25-12-13-27-16-17-29-19-18-28-15-14-26-11-10-24-7-6-22-3-2-20/h2-19H2,1H3
InChIKey
UVVCGSZTSMUNGX-UHFFFAOYSA-N
Compound name
1-[2-[2-[2-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

490.17776 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.185036 238.3
[M+Na]+ 513.166978 241.8
[M-H]- 489.170484 227.8
[M+NH4]+ 508.211583 240.7
[M+K]+ 529.140918 199.1
[M+H-H2O]+ 473.175020 199.6
[M+HCOO]- 535.175961 252.2
[M+CH3COO]- 549.191611 230.0
[M+Na-2H]- 511.152426 206.0
[M]+ 490.17721142 238.8
[M]- 490.17830858 238.8
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