CID 137935727

5-(bromomethyl)-1-fluorospiro[2.3]hexane

Structural Information

Molecular Formula
C7H10BrF
SMILES
C1C(CC12CC2F)CBr
InChI
InChI=1S/C7H10BrF/c8-4-5-1-7(2-5)3-6(7)9/h5-6H,1-4H2
InChIKey
FRZWRSWHPKSFRC-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-2-fluorospiro[2.3]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.995 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.00228 125.5
[M+Na]+ 214.98422 138.4
[M-H]- 190.98772 134.0
[M+NH4]+ 210.02882 140.9
[M+K]+ 230.95816 130.9
[M+H-H2O]+ 174.99226 122.2
[M+HCOO]- 236.99320 144.5
[M+CH3COO]- 251.00885 187.6
[M+Na-2H]- 212.96967 134.3
[M]+ 191.99445 150.8
[M]- 191.99555 150.8
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.