CID 165653567

2-bromo-5-(2-chloro-1,1,2,2-tetrafluoroethyl)thiophene

Structural Information

Molecular Formula
C6H2BrClF4S
SMILES
C1=C(SC(=C1)Br)C(C(F)(F)Cl)(F)F
InChI
InChI=1S/C6H2BrClF4S/c7-4-2-1-3(13-4)5(9,10)6(8,11)12/h1-2H
InChIKey
GQPXUKSEEZXRDS-UHFFFAOYSA-N
Compound name
2-bromo-5-(2-chloro-1,1,2,2-tetrafluoroethyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.86853 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.87581 146.3
[M+Na]+ 318.85775 161.7
[M-H]- 294.86125 148.9
[M+NH4]+ 313.90235 168.9
[M+K]+ 334.83169 147.9
[M+H-H2O]+ 278.86579 145.6
[M+HCOO]- 340.86673 154.1
[M+CH3COO]- 354.88238 193.1
[M+Na-2H]- 316.84320 149.9
[M]+ 295.86798 163.1
[M]- 295.86908 163.1
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.