CID 155822087

2490420-49-8

Structural Information

Molecular Formula
C9H13BrF2O
SMILES
C1C(CC2COCC1C2(F)F)CBr
InChI
InChI=1S/C9H13BrF2O/c10-3-6-1-7-4-13-5-8(2-6)9(7,11)12/h6-8H,1-5H2
InChIKey
ALUASSWWZFBKKK-UHFFFAOYSA-N
Compound name
7-(bromomethyl)-9,9-difluoro-3-oxabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.01178 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.01906 150.9
[M+Na]+ 277.00100 160.9
[M-H]- 253.00450 154.1
[M+NH4]+ 272.04560 173.8
[M+K]+ 292.97494 151.3
[M+H-H2O]+ 237.00904 150.6
[M+HCOO]- 299.00998 163.0
[M+CH3COO]- 313.02563 191.0
[M+Na-2H]- 274.98645 157.9
[M]+ 254.01123 164.0
[M]- 254.01233 164.0
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.