CID 58879043

3-(2-bromoethyl)-1,1-difluorocyclopentane

Structural Information

Molecular Formula
C7H11BrF2
SMILES
C1CC(CC1CCBr)(F)F
InChI
InChI=1S/C7H11BrF2/c8-4-2-6-1-3-7(9,10)5-6/h6H,1-5H2
InChIKey
UWKJMWJJANCKJU-UHFFFAOYSA-N
Compound name
3-(2-bromoethyl)-1,1-difluorocyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

212.00122 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.00850 151.1
[M+Na]+ 234.99044 151.1
[M+NH4]+ 230.03504 156.5
[M+K]+ 250.96438 150.0
[M-H]- 210.99394 148.8
[M+Na-2H]- 232.97589 152.1
[M]+ 212.00067 149.2
[M]- 212.00177 149.2
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

patents stripe