CID 53876316

2-(2-bromoethyl)-1,4-dioxane

Structural Information

Molecular Formula
C6H11BrO2
SMILES
C1COC(CO1)CCBr
InChI
InChI=1S/C6H11BrO2/c7-2-1-6-5-8-3-4-9-6/h6H,1-5H2
InChIKey
HGRCYYVHIILPMN-UHFFFAOYSA-N
Compound name
2-(2-bromoethyl)-1,4-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

193.99425 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.001526 135.6
[M+Na]+ 216.983468 144.4
[M-H]- 192.986974 142.2
[M+NH4]+ 212.028073 155.8
[M+K]+ 232.957408 137.6
[M+H-H2O]+ 176.991510 136.1
[M+HCOO]- 238.992451 153.0
[M+CH3COO]- 253.008101 178.4
[M+Na-2H]- 214.968916 145.0
[M]+ 193.99370142 152.8
[M]- 193.99479858 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