CID 126970506

3-bromo-1,1-difluorocyclopentane

Structural Information

Molecular Formula
C5H7BrF2
SMILES
C1CC(CC1Br)(F)F
InChI
InChI=1S/C5H7BrF2/c6-4-1-2-5(7,8)3-4/h4H,1-3H2
InChIKey
YKUBVXZNAYOTDW-UHFFFAOYSA-N
Compound name
3-bromo-1,1-difluorocyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.96992 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.977196 131.4
[M+Na]+ 206.959138 143.7
[M-H]- 182.962644 135.5
[M+NH4]+ 202.003743 158.4
[M+K]+ 222.933078 133.7
[M+H-H2O]+ 166.967180 132.0
[M+HCOO]- 228.968121 150.7
[M+CH3COO]- 242.983771 177.4
[M+Na-2H]- 204.944586 137.6
[M]+ 183.96937142 144.8
[M]- 183.97046858 144.8
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.