CID 67324553

1-(4-bromofuran-2-yl)-2,2,2-trifluoroethan-1-one

Structural Information

Molecular Formula
C6H2BrF3O2
SMILES
C1=C(OC=C1Br)C(=O)C(F)(F)F
InChI
InChI=1S/C6H2BrF3O2/c7-3-1-4(12-2-3)5(11)6(8,9)10/h1-2H
InChIKey
HIFAJOVCQJAQQP-UHFFFAOYSA-N
Compound name
1-(4-bromofuran-2-yl)-2,2,2-trifluoroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

241.91904 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.92632 142.8
[M+Na]+ 264.90826 156.1
[M-H]- 240.91176 146.6
[M+NH4]+ 259.95286 164.4
[M+K]+ 280.88220 146.7
[M+H-H2O]+ 224.91630 141.7
[M+HCOO]- 286.91724 160.7
[M+CH3COO]- 300.93289 185.7
[M+Na-2H]- 262.89371 148.8
[M]+ 241.91849 159.1
[M]- 241.91959 159.1
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

patents stripe