CID 61141

2-bromoethyl ethyl ether

Structural Information

Molecular Formula
C4H9BrO
SMILES
CCOCCBr
InChI
InChI=1S/C4H9BrO/c1-2-6-4-3-5/h2-4H2,1H3
InChIKey
MMYKTRPLXXWLBC-UHFFFAOYSA-N
Compound name
1-bromo-2-ethoxyethane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

3509
Patents

151.98367 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.990946 123.2
[M+Na]+ 174.972888 134.8
[M-H]- 150.976394 126.6
[M+NH4]+ 170.017493 148.0
[M+K]+ 190.946828 125.8
[M+H-H2O]+ 134.980930 124.5
[M+HCOO]- 196.981871 145.4
[M+CH3COO]- 210.997521 174.5
[M+Na-2H]- 172.958336 132.5
[M]+ 151.98312142 143.5
[M]- 151.98421858 143.5
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