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

13226
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 122.1
[M+Na]+ 178.92783 134.9
[M-H]- 154.93133 123.4
[M+NH4]+ 173.97243 146.6
[M+K]+ 194.90177 124.6
[M+H-H2O]+ 138.93587 122.5
[M+HCOO]- 200.93681 141.1
[M+CH3COO]- 214.95246 174.3
[M+Na-2H]- 176.91328 131.1
[M]+ 155.93806 137.1
[M]- 155.93916 137.1
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