CID 12251081

3-bromooxane

Structural Information

Molecular Formula
C5H9BrO
SMILES
C1CC(COC1)Br
InChI
InChI=1S/C5H9BrO/c6-5-2-1-3-7-4-5/h5H,1-4H2
InChIKey
FQBAAVZEEPNKMR-UHFFFAOYSA-N
Compound name
3-bromooxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5252
Patents

163.98367 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.990946 127.2
[M+Na]+ 186.972888 136.6
[M-H]- 162.976394 133.5
[M+NH4]+ 182.017493 149.9
[M+K]+ 202.946828 128.7
[M+H-H2O]+ 146.980930 128.2
[M+HCOO]- 208.981871 145.7
[M+CH3COO]- 222.997521 173.6
[M+Na-2H]- 184.958336 136.4
[M]+ 163.98312142 142.2
[M]- 163.98421858 142.2
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