CID 105448661

(2-bromo-1-fluoroethyl)cyclopentane

Structural Information

Molecular Formula
C7H12BrF
SMILES
C1CCC(C1)C(CBr)F
InChI
InChI=1S/C7H12BrF/c8-5-7(9)6-3-1-2-4-6/h6-7H,1-5H2
InChIKey
DAFVISKPUVFIIE-UHFFFAOYSA-N
Compound name
(2-bromo-1-fluoroethyl)cyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.01064 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.017916 141.4
[M+Na]+ 216.999858 150.9
[M-H]- 193.003364 145.7
[M+NH4]+ 212.044463 165.7
[M+K]+ 232.973798 141.0
[M+H-H2O]+ 177.007900 141.2
[M+HCOO]- 239.008841 159.9
[M+CH3COO]- 253.024491 180.7
[M+Na-2H]- 214.985306 145.1
[M]+ 194.01009142 155.2
[M]- 194.01118858 155.2
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.