CID 162422213

2703752-35-4

Structural Information

Molecular Formula
C5H6BrFO
SMILES
C1CC1(C(=O)CBr)F
InChI
InChI=1S/C5H6BrFO/c6-3-4(8)5(7)1-2-5/h1-3H2
InChIKey
AMGQQRNYZGDGPI-UHFFFAOYSA-N
Compound name
2-bromo-1-(1-fluorocyclopropyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.9586 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.96588 128.7
[M+Na]+ 202.94782 142.3
[M-H]- 178.95132 135.2
[M+NH4]+ 197.99242 149.4
[M+K]+ 218.92176 132.5
[M+H-H2O]+ 162.95586 129.2
[M+HCOO]- 224.95680 149.0
[M+CH3COO]- 238.97245 181.2
[M+Na-2H]- 200.93327 137.1
[M]+ 179.95805 147.8
[M]- 179.95915 147.8
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.