CID 145915564

2-(bromomethyl)-2-fluorospiro[3.3]heptane

Structural Information

Molecular Formula
C8H12BrF
SMILES
C1CC2(C1)CC(C2)(CBr)F
InChI
InChI=1S/C8H12BrF/c9-6-8(10)4-7(5-8)2-1-3-7/h1-6H2
InChIKey
CZCSYQOQKUBJHK-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-2-fluorospiro[3.3]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.01064 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.017916 119.9
[M+Na]+ 228.999858 129.0
[M-H]- 205.003364 127.1
[M+NH4]+ 224.044463 133.7
[M+K]+ 244.973798 124.5
[M+H-H2O]+ 189.007900 114.9
[M+HCOO]- 251.008841 136.4
[M+CH3COO]- 265.024491 194.5
[M+Na-2H]- 226.985306 129.3
[M]+ 206.01009142 148.9
[M]- 206.01118858 148.9
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.