CID 5122880

1-bromo-2-(chloromethoxy)ethane

Structural Information

Molecular Formula
C3H6BrClO
SMILES
C(CBr)OCCl
InChI
InChI=1S/C3H6BrClO/c4-1-2-6-3-5/h1-3H2
InChIKey
JYGASIIKRZJQEA-UHFFFAOYSA-N
Compound name
1-bromo-2-(chloromethoxy)ethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

171.92906 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.93634 123.0
[M+Na]+ 194.91828 136.0
[M-H]- 170.92178 126.5
[M+NH4]+ 189.96288 147.9
[M+K]+ 210.89222 125.0
[M+H-H2O]+ 154.92632 125.3
[M+HCOO]- 216.92726 141.2
[M+CH3COO]- 230.94291 175.3
[M+Na-2H]- 192.90373 132.5
[M]+ 171.92851 144.5
[M]- 171.92961 144.5
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