CID 573097

1,2-bis(2-bromoethoxy)ethane

Structural Information

Molecular Formula
C6H12Br2O2
SMILES
C(COCCBr)OCCBr
InChI
InChI=1S/C6H12Br2O2/c7-1-3-9-5-6-10-4-2-8/h1-6H2
InChIKey
UOWNEWCMPHICQH-UHFFFAOYSA-N
Compound name
1,2-bis(2-bromoethoxy)ethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

230
Patents

273.9204 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.92768 137.4
[M+Na]+ 296.90962 147.5
[M-H]- 272.91312 141.2
[M+NH4]+ 291.95422 157.3
[M+K]+ 312.88356 132.7
[M+H-H2O]+ 256.91766 145.1
[M+HCOO]- 318.91860 153.7
[M+CH3COO]- 332.93425 199.9
[M+Na-2H]- 294.89507 145.1
[M]+ 273.91985 174.0
[M]- 273.92095 174.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe