CID 131183475

1852147-44-4

Structural Information

Molecular Formula
C8H11BrO2
SMILES
C1CC2C(CC1O2)C(=O)CBr
InChI
InChI=1S/C8H11BrO2/c9-4-7(10)6-3-5-1-2-8(6)11-5/h5-6,8H,1-4H2
InChIKey
LJHQTIFRHXOYMS-UHFFFAOYSA-N
Compound name
2-bromo-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.99425 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.00153 148.3
[M+Na]+ 240.98347 159.0
[M-H]- 216.98697 154.2
[M+NH4]+ 236.02807 173.8
[M+K]+ 256.95741 150.5
[M+H-H2O]+ 200.99151 150.2
[M+HCOO]- 262.99245 166.2
[M+CH3COO]- 277.00810 184.1
[M+Na-2H]- 238.96892 152.7
[M]+ 217.99370 166.4
[M]- 217.99480 166.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.