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]+ 207.01792 119.9
[M+Na]+ 228.99986 129.0
[M-H]- 205.00336 127.1
[M+NH4]+ 224.04446 133.7
[M+K]+ 244.97380 124.5
[M+H-H2O]+ 189.00790 114.9
[M+HCOO]- 251.00884 136.4
[M+CH3COO]- 265.02449 194.5
[M+Na-2H]- 226.98531 129.3
[M]+ 206.01009 148.9
[M]- 206.01119 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.