CID 14704176

102684-61-7

Structural Information

Molecular Formula
C8H17BrO3
SMILES
CCOCCOCCOCCBr
InChI
InChI=1S/C8H17BrO3/c1-2-10-5-6-12-8-7-11-4-3-9/h2-8H2,1H3
InChIKey
DXYATEXXIQWZLD-UHFFFAOYSA-N
Compound name
1-[2-(2-bromoethoxy)ethoxy]-2-ethoxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

240.03612 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.04340 146.7
[M+Na]+ 263.02534 156.4
[M-H]- 239.02884 149.1
[M+NH4]+ 258.06994 167.9
[M+K]+ 278.99928 147.1
[M+H-H2O]+ 223.03338 146.5
[M+HCOO]- 285.03432 167.9
[M+CH3COO]- 299.04997 189.3
[M+Na-2H]- 261.01079 153.6
[M]+ 240.03557 171.0
[M]- 240.03667 171.0
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