CID 165655039

3,5-dibromo-2-(1,1,2,2,2-pentafluoroethyl)thiophene

Structural Information

Molecular Formula
C6HBr2F5S
SMILES
C1=C(SC(=C1Br)C(C(F)(F)F)(F)F)Br
InChI
InChI=1S/C6HBr2F5S/c7-2-1-3(8)14-4(2)5(9,10)6(11,12)13/h1H
InChIKey
JQFVNCWULVVXBP-UHFFFAOYSA-N
Compound name
3,5-dibromo-2-(1,1,2,2,2-pentafluoroethyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.8086 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.81588 153.0
[M+Na]+ 380.79782 167.3
[M-H]- 356.80132 156.0
[M+NH4]+ 375.84242 172.7
[M+K]+ 396.77176 150.3
[M+H-H2O]+ 340.80586 159.0
[M+HCOO]- 402.80680 160.8
[M+CH3COO]- 416.82245 208.5
[M+Na-2H]- 378.78327 155.9
[M]+ 357.80805 182.8
[M]- 357.80915 182.8
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.