CID 155821846

2445785-16-8

Structural Information

Molecular Formula
C4H4BrF5O2S
SMILES
C(CS(=O)(=O)F)C(C(F)(F)Br)(F)F
InChI
InChI=1S/C4H4BrF5O2S/c5-4(8,9)3(6,7)1-2-13(10,11)12/h1-2H2
InChIKey
LNELDHMGNJFRQB-UHFFFAOYSA-N
Compound name
4-bromo-3,3,4,4-tetrafluorobutane-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.90356 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.91084 143.7
[M+Na]+ 312.89278 156.8
[M-H]- 288.89628 141.3
[M+NH4]+ 307.93738 163.2
[M+K]+ 328.86672 144.8
[M+H-H2O]+ 272.90082 141.1
[M+HCOO]- 334.90176 152.1
[M+CH3COO]- 348.91741 192.4
[M+Na-2H]- 310.87823 149.1
[M]+ 289.90301 158.0
[M]- 289.90411 158.0
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.