CID 138395092

Dtxsid20897550

Structural Information

Molecular Formula
C14H5F25O4S
SMILES
C(COS(=O)(=O)O)C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H5F25O4S/c15-3(16,1-2-43-44(40,41)42)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)13(35,36)14(37,38)39/h1-2H2,(H,40,41,42)
InChIKey
HJDYDSUVNPUFQJ-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

743.9509 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 744.95818 152.6
[M+Na]+ 766.94012 152.6
[M+NH4]+ 761.98472 152.6
[M+K]+ 782.91406 152.6
[M-H]- 742.94362 152.6
[M+Na-2H]- 764.92557 152.6
[M]+ 743.95035 152.6
[M]- 743.95145 152.6
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.