CID 162345126

[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propyl] hydrogen sulfate

Structural Information

Molecular Formula
C4HF9O4S
SMILES
C(C(OS(=O)(=O)O)(F)F)(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C4HF9O4S/c5-1(2(6,7)8,3(9,10)11)4(12,13)17-18(14,15)16/h(H,14,15,16)
InChIKey
FLJKZYHVWHYJFM-UHFFFAOYSA-N
Compound name
[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propyl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.9452 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.95248 148.8
[M+Na]+ 338.93442 158.0
[M-H]- 314.93792 137.3
[M+NH4]+ 333.97902 162.0
[M+K]+ 354.90836 155.7
[M+H-H2O]+ 298.94246 138.0
[M+HCOO]- 360.94340 150.7
[M+CH3COO]- 374.95905 196.0
[M+Na-2H]- 336.91987 153.5
[M]+ 315.94465 138.5
[M]- 315.94575 138.5
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.