CID 12711487

4-bromo-4-(bromomethyl)oxane

Structural Information

Molecular Formula
C6H10Br2O
SMILES
C1COCCC1(CBr)Br
InChI
InChI=1S/C6H10Br2O/c7-5-6(8)1-3-9-4-2-6/h1-5H2
InChIKey
UBOUSERAIGNSGU-UHFFFAOYSA-N
Compound name
4-bromo-4-(bromomethyl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.90984 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.91712 135.0
[M+Na]+ 278.89906 144.3
[M-H]- 254.90256 141.8
[M+NH4]+ 273.94366 155.8
[M+K]+ 294.87300 131.2
[M+H-H2O]+ 238.90710 144.5
[M+HCOO]- 300.90804 148.6
[M+CH3COO]- 314.92369 195.1
[M+Na-2H]- 276.88451 144.0
[M]+ 255.90929 166.9
[M]- 255.91039 166.9
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

No patent data available for this compound.