CID 15936172

Sulfuric acid 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl ester

Structural Information

Molecular Formula
C10H5F17O4S
SMILES
C(COS(=O)(=O)O)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
InChI
InChI=1S/C10H5F17O4S/c11-3(12,1-2-31-32(28,29)30)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2H2,(H,28,29,30)
InChIKey
UWHCRBKABHKUTC-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

543.9637 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.970976 170.4
[M+Na]+ 566.952918 173.0
[M-H]- 542.956424 177.2
[M+NH4]+ 561.997523 179.7
[M+K]+ 582.926858 182.1
[M+H-H2O]+ 526.960960 158.2
[M+HCOO]- 588.961901 190.3
[M+CH3COO]- 602.977551 237.1
[M+Na-2H]- 564.938366 168.3
[M]+ 543.96315142 171.7
[M]- 543.96424858 171.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.