CID 146082092

4-bromo-2-(pentafluoroethyl)thiophene

Structural Information

Molecular Formula
C6H2BrF5S
SMILES
C1=C(SC=C1Br)C(C(F)(F)F)(F)F
InChI
InChI=1S/C6H2BrF5S/c7-3-1-4(13-2-3)5(8,9)6(10,11)12/h1-2H
InChIKey
OTQDUOONOAACBW-UHFFFAOYSA-N
Compound name
4-bromo-2-(1,1,2,2,2-pentafluoroethyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.89807 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.90535 145.4
[M+Na]+ 302.88729 159.9
[M-H]- 278.89079 146.6
[M+NH4]+ 297.93189 167.6
[M+K]+ 318.86123 147.7
[M+H-H2O]+ 262.89533 143.1
[M+HCOO]- 324.89627 156.4
[M+CH3COO]- 338.91192 191.6
[M+Na-2H]- 300.87274 148.6
[M]+ 279.89752 159.1
[M]- 279.89862 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

No patent data available for this compound.