CID 139596556

Mhpfso4_i n=2

Structural Information

Molecular Formula
C4H6F4O4S
SMILES
CC(CC(OS(=O)(=O)O)(F)F)(F)F
InChI
InChI=1S/C4H6F4O4S/c1-3(5,6)2-4(7,8)12-13(9,10)11/h2H2,1H3,(H,9,10,11)
InChIKey
PDQFNVCLLWEJNN-UHFFFAOYSA-N
Compound name
1,1,3,3-tetrafluorobutyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

225.9923 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.99958 136.7
[M+Na]+ 248.98152 145.4
[M-H]- 224.98502 130.9
[M+NH4]+ 244.02612 154.2
[M+K]+ 264.95546 143.8
[M+H-H2O]+ 208.98956 129.6
[M+HCOO]- 270.99050 146.7
[M+CH3COO]- 285.00615 181.1
[M+Na-2H]- 246.96697 141.6
[M]+ 225.99175 135.0
[M]- 225.99285 135.0
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.