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
1
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 155.2
[M+Na]+ 248.98152 158.7
[M+NH4]+ 244.02612 157.3
[M+K]+ 264.95546 155.8
[M-H]- 224.98502 145.8
[M+Na-2H]- 246.96697 153.3
[M]+ 225.99175 152.9
[M]- 225.99285 152.9
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.