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]+ 544.97098 170.4
[M+Na]+ 566.95292 173.0
[M-H]- 542.95642 177.2
[M+NH4]+ 561.99752 179.7
[M+K]+ 582.92686 182.1
[M+H-H2O]+ 526.96096 158.2
[M+HCOO]- 588.96190 190.3
[M+CH3COO]- 602.97755 237.1
[M+Na-2H]- 564.93837 168.3
[M]+ 543.96315 171.7
[M]- 543.96425 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.