CID 139597655

Mhpfso4_i n=3

Structural Information

Molecular Formula
C6H8F6O4S
SMILES
CC(CC(CC(OS(=O)(=O)O)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H8F6O4S/c1-4(7,8)2-5(9,10)3-6(11,12)16-17(13,14)15/h2-3H2,1H3,(H,13,14,15)
InChIKey
WJUOJXIVXMYOER-UHFFFAOYSA-N
Compound name
1,1,3,3,5,5-hexafluorohexyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

290.00476 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.01204 150.2
[M+Na]+ 312.99398 158.2
[M-H]- 288.99748 141.6
[M+NH4]+ 308.03858 164.8
[M+K]+ 328.96792 156.0
[M+H-H2O]+ 273.00202 141.2
[M+HCOO]- 335.00296 155.9
[M+CH3COO]- 349.01861 193.5
[M+Na-2H]- 310.97943 154.3
[M]+ 290.00421 145.8
[M]- 290.00531 145.8
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.