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

7
Patents

490.17776 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.18504 238.3
[M+Na]+ 513.16698 241.8
[M-H]- 489.17048 227.8
[M+NH4]+ 508.21158 240.7
[M+K]+ 529.14092 199.1
[M+H-H2O]+ 473.17502 199.6
[M+HCOO]- 535.17596 252.2
[M+CH3COO]- 549.19161 230.0
[M+Na-2H]- 511.15243 206.0
[M]+ 490.17721 238.8
[M]- 490.17831 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