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]+ 207.01792 118.2
[M+Na]+ 228.99986 127.2
[M-H]- 205.00336 125.2
[M+NH4]+ 224.04446 130.5
[M+K]+ 244.97380 122.9
[M+H-H2O]+ 189.00790 111.9
[M+HCOO]- 251.00884 134.6
[M+CH3COO]- 265.02449 195.6
[M+Na-2H]- 226.98531 126.2
[M]+ 206.01009 147.1
[M]- 206.01119 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.