CID 55279085

3,3,4,4,4-pentafluorobutane-1-sulfonyl chloride

Structural Information

Molecular Formula
C4H4ClF5O2S
SMILES
C(CS(=O)(=O)Cl)C(C(F)(F)F)(F)F
InChI
InChI=1S/C4H4ClF5O2S/c5-13(11,12)2-1-3(6,7)4(8,9)10/h1-2H2
InChIKey
ZQJVCLVKSCZXQB-UHFFFAOYSA-N
Compound name
3,3,4,4,4-pentafluorobutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.95407 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.96135 135.9
[M+Na]+ 268.94329 146.0
[M-H]- 244.94679 130.6
[M+NH4]+ 263.98789 154.4
[M+K]+ 284.91723 142.2
[M+H-H2O]+ 228.95133 128.9
[M+HCOO]- 290.95227 141.6
[M+CH3COO]- 304.96792 185.7
[M+Na-2H]- 266.92874 140.0
[M]+ 245.95352 133.7
[M]- 245.95462 133.7
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.