CID 555085

3-bromo-3,3-difluoropropene

Structural Information

Molecular Formula
C3H3BrF2
SMILES
C=CC(F)(F)Br
InChI
InChI=1S/C3H3BrF2/c1-2-3(4,5)6/h2H,1H2
InChIKey
GDDNTTHUKVNJRA-UHFFFAOYSA-N
Compound name
3-bromo-3,3-difluoroprop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13045
Patents

155.93861 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.94589 129.9
[M+Na]+ 178.92783 131.0
[M+NH4]+ 173.97243 133.8
[M+K]+ 194.90177 131.3
[M-H]- 154.93133 125.9
[M+Na-2H]- 176.91328 130.7
[M]+ 155.93806 127.6
[M]- 155.93916 127.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe