CID 154814345

2-bromo-6-fluorospiro[3.3]heptane

Structural Information

Molecular Formula
C7H10BrF
SMILES
C1C(CC12CC(C2)Br)F
InChI
InChI=1S/C7H10BrF/c8-5-1-7(2-5)3-6(9)4-7/h5-6H,1-4H2
InChIKey
CVRYFAQYPMFWBZ-UHFFFAOYSA-N
Compound name
2-bromo-6-fluorospiro[3.3]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.995 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.00228 113.7
[M+Na]+ 214.98422 123.1
[M-H]- 190.98772 120.9
[M+NH4]+ 210.02882 126.5
[M+K]+ 230.95816 119.0
[M+H-H2O]+ 174.99226 107.6
[M+HCOO]- 236.99320 130.5
[M+CH3COO]- 251.00885 193.1
[M+Na-2H]- 212.96967 122.3
[M]+ 191.99445 142.4
[M]- 191.99555 142.4
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.