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]+ 251.02416 132.0
[M+Na]+ 273.00610 143.6
[M-H]- 249.00960 141.0
[M+NH4]+ 268.05070 142.8
[M+K]+ 288.98004 139.2
[M+H-H2O]+ 233.01414 127.7
[M+HCOO]- 295.01508 146.5
[M+CH3COO]- 309.03073 203.9
[M+Na-2H]- 270.99155 140.5
[M]+ 250.01633 161.7
[M]- 250.01743 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.