CID 146075385

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

Structural Information

Molecular Formula
C6H9BrF2
SMILES
C1C(CC1(F)F)CCBr
InChI
InChI=1S/C6H9BrF2/c7-2-1-5-3-6(8,9)4-5/h5H,1-4H2
InChIKey
PFPULISMDRWGSY-UHFFFAOYSA-N
Compound name
3-(2-bromoethyl)-1,1-difluorocyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.98557 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.99285 143.5
[M+Na]+ 220.97479 141.3
[M+NH4]+ 216.01939 145.8
[M+K]+ 236.94873 140.6
[M-H]- 196.97829 139.3
[M+Na-2H]- 218.96024 143.6
[M]+ 197.98502 139.9
[M]- 197.98612 139.9
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.