CID 155820082

2567503-83-5

Structural Information

Molecular Formula
C10H13BrF2
SMILES
C1CC2(C1)C3(C2(F)F)CC(C3)CBr
InChI
InChI=1S/C10H13BrF2/c11-6-7-4-9(5-7)8(2-1-3-8)10(9,12)13/h7H,1-6H2
InChIKey
XIQDHHIVXHCVJU-UHFFFAOYSA-N
Compound name
7-(bromomethyl)-9,9-difluorodispiro[3.0.35.14]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.01688 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.024156 132.0
[M+Na]+ 273.006098 143.6
[M-H]- 249.009604 141.0
[M+NH4]+ 268.050703 142.8
[M+K]+ 288.980038 139.2
[M+H-H2O]+ 233.014140 127.7
[M+HCOO]- 295.015081 146.5
[M+CH3COO]- 309.030731 203.9
[M+Na-2H]- 270.991546 140.5
[M]+ 250.01633142 161.7
[M]- 250.01742858 161.7
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.