CID 155820176

2-(bromomethyl)-6-fluorospiro[3.3]heptane

Structural Information

Molecular Formula
C8H12BrF
SMILES
C1C(CC12CC(C2)F)CBr
InChI
InChI=1S/C8H12BrF/c9-5-6-1-8(2-6)3-7(10)4-8/h6-7H,1-5H2
InChIKey
KDLZKDBGKLEYSR-UHFFFAOYSA-N
Compound name
6-(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

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.017916 118.2
[M+Na]+ 228.999858 127.2
[M-H]- 205.003364 125.2
[M+NH4]+ 224.044463 130.5
[M+K]+ 244.973798 122.9
[M+H-H2O]+ 189.007900 111.9
[M+HCOO]- 251.008841 134.6
[M+CH3COO]- 265.024491 195.6
[M+Na-2H]- 226.985306 126.2
[M]+ 206.01009142 147.1
[M]- 206.01118858 147.1
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.