CID 12450386

64274-69-7

Structural Information

Molecular Formula
C8H12Br2O
SMILES
C1C[C@H]2[C@H](CC[C@H]([C@@H]1O2)Br)Br
InChI
InChI=1S/C8H12Br2O/c9-5-1-2-6(10)8-4-3-7(5)11-8/h5-8H,1-4H2/t5-,6+,7-,8+
InChIKey
OUPZIIVEHFFXQS-KVFPUHGPSA-N
Compound name
(1S,2S,5R,6R)-2,5-dibromo-9-oxabicyclo[4.2.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.92548 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.93276 145.1
[M+Na]+ 304.91470 153.6
[M-H]- 280.91820 152.2
[M+NH4]+ 299.95930 165.2
[M+K]+ 320.88864 142.9
[M+H-H2O]+ 264.92274 154.3
[M+HCOO]- 326.92368 156.9
[M+CH3COO]- 340.93933 158.1
[M+Na-2H]- 302.90015 150.8
[M]+ 281.92493 172.9
[M]- 281.92603 172.9
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.