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 140.7
[M+Na]+ 234.99044 152.2
[M-H]- 210.99394 144.4
[M+NH4]+ 230.03504 166.6
[M+K]+ 250.96438 141.6
[M+H-H2O]+ 194.99848 140.9
[M+HCOO]- 256.99942 159.4
[M+CH3COO]- 271.01507 183.1
[M+Na-2H]- 232.97589 145.7
[M]+ 212.00067 154.8
[M]- 212.00177 154.8
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

patents stripe