CID 86233917

Schembl5488884

Structural Information

Molecular Formula
C5H7F5O4S
SMILES
C(CC(C(F)(F)F)(F)F)COS(=O)(=O)O
InChI
InChI=1S/C5H7F5O4S/c6-4(7,5(8,9)10)2-1-3-14-15(11,12)13/h1-3H2,(H,11,12,13)
InChIKey
SZNKTIUSIMCHRA-UHFFFAOYSA-N
Compound name
4,4,5,5,5-pentafluoropentyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

257.99854 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.00582 143.7
[M+Na]+ 280.98776 152.0
[M-H]- 256.99126 136.4
[M+NH4]+ 276.03236 159.9
[M+K]+ 296.96170 149.8
[M+H-H2O]+ 240.99580 135.4
[M+HCOO]- 302.99674 152.3
[M+CH3COO]- 317.01239 186.3
[M+Na-2H]- 278.97321 147.5
[M]+ 257.99799 141.0
[M]- 257.99909 141.0
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

patents stripe