CID 165990109

1-(bromomethyl)-4-fluorobicyclo[2.2.1]heptane

Structural Information

Molecular Formula
C8H12BrF
SMILES
C1CC2(CCC1(C2)CBr)F
InChI
InChI=1S/C8H12BrF/c9-6-7-1-3-8(10,5-7)4-2-7/h1-6H2
InChIKey
TUNIUTQJVHYFLB-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-4-fluorobicyclo[2.2.1]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 144.5
[M+Na]+ 228.999858 156.6
[M-H]- 205.003364 149.1
[M+NH4]+ 224.044463 175.4
[M+K]+ 244.973798 146.0
[M+H-H2O]+ 189.007900 146.5
[M+HCOO]- 251.008841 163.1
[M+CH3COO]- 265.024491 159.8
[M+Na-2H]- 226.985306 151.3
[M]+ 206.01009142 160.1
[M]- 206.01118858 160.1
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.