CID 520656

2-(2-bromoethyl)-1,3-dioxane

Structural Information

Molecular Formula
C6H11BrO2
SMILES
C1COC(OC1)CCBr
InChI
InChI=1S/C6H11BrO2/c7-3-2-6-8-4-1-5-9-6/h6H,1-5H2
InChIKey
WMDHQEHPOVOEOG-UHFFFAOYSA-N
Compound name
2-(2-bromoethyl)-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1006
Patents

193.99425 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.00153 135.6
[M+Na]+ 216.98347 144.4
[M-H]- 192.98697 142.2
[M+NH4]+ 212.02807 155.8
[M+K]+ 232.95741 137.6
[M+H-H2O]+ 176.99151 136.1
[M+HCOO]- 238.99245 153.0
[M+CH3COO]- 253.00810 178.4
[M+Na-2H]- 214.96892 145.0
[M]+ 193.99370 152.8
[M]- 193.99480 152.8
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