CID 165665332

1-bromo-3,3-difluorobutan-2-one

Structural Information

Molecular Formula
C4H5BrF2O
SMILES
CC(C(=O)CBr)(F)F
InChI
InChI=1S/C4H5BrF2O/c1-4(6,7)3(8)2-5/h2H2,1H3
InChIKey
QIZMLKCZAXBBPM-UHFFFAOYSA-N
Compound name
1-bromo-3,3-difluorobutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.94917 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.95645 130.0
[M+Na]+ 208.93839 142.0
[M-H]- 184.94189 131.1
[M+NH4]+ 203.98299 153.2
[M+K]+ 224.91233 132.2
[M+H-H2O]+ 168.94643 129.9
[M+HCOO]- 230.94737 147.9
[M+CH3COO]- 244.96302 179.7
[M+Na-2H]- 206.92384 137.1
[M]+ 185.94862 146.0
[M]- 185.94972 146.0
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.