CID 12251081

13047-01-3

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

2315
Patents

163.98367 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.99095 125.7
[M+Na]+ 186.97289 128.3
[M+NH4]+ 182.01749 131.8
[M+K]+ 202.94683 128.6
[M-H]- 162.97639 127.7
[M+Na-2H]- 184.95834 128.8
[M]+ 163.98312 125.4
[M]- 163.98422 125.4
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