CID 129980727

1824139-62-9

Structural Information

Molecular Formula
C8H3BrF4O
SMILES
C1=CC2=C(C=C1Br)OC(C2(F)F)(F)F
InChI
InChI=1S/C8H3BrF4O/c9-4-1-2-5-6(3-4)14-8(12,13)7(5,10)11/h1-3H
InChIKey
PTZSUVQTFDVLNL-UHFFFAOYSA-N
Compound name
6-bromo-2,2,3,3-tetrafluoro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

269.93033 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.93761 145.4
[M+Na]+ 292.91955 161.5
[M-H]- 268.92305 149.7
[M+NH4]+ 287.96415 171.2
[M+K]+ 308.89349 150.8
[M+H-H2O]+ 252.92759 145.0
[M+HCOO]- 314.92853 162.5
[M+CH3COO]- 328.94418 191.7
[M+Na-2H]- 290.90500 153.1
[M]+ 269.92978 161.3
[M]- 269.93088 161.3
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