CID 155821218

4-bromo-3,3,4,4-tetrafluorobutane-1-sulfonamide

Structural Information

Molecular Formula
C4H6BrF4NO2S
SMILES
C(CS(=O)(=O)N)C(C(F)(F)Br)(F)F
InChI
InChI=1S/C4H6BrF4NO2S/c5-4(8,9)3(6,7)1-2-13(10,11)12/h1-2H2,(H2,10,11,12)
InChIKey
MCKZACYKSPMOAC-UHFFFAOYSA-N
Compound name
4-bromo-3,3,4,4-tetrafluorobutane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.92386 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.93114 144.3
[M+Na]+ 309.91308 156.2
[M-H]- 285.91658 142.2
[M+NH4]+ 304.95768 163.1
[M+K]+ 325.88702 143.7
[M+H-H2O]+ 269.92112 141.5
[M+HCOO]- 331.92206 153.7
[M+CH3COO]- 345.93771 193.5
[M+Na-2H]- 307.89853 149.5
[M]+ 286.92331 157.9
[M]- 286.92441 157.9
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.