CID 139594539

9h-perfluorodecanesulfonic acid

Structural Information

Molecular Formula
C10H2F20O3S
SMILES
C(C(C(C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C10H2F20O3S/c11-1(3(14,15)16)2(12,13)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)34(31,32)33/h1H,(H,31,32,33)
InChIKey
CIKJPNFMVNXTBQ-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-icosafluorodecane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

581.94055 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 582.94783 178.3
[M+Na]+ 604.92977 181.1
[M-H]- 580.93327 187.1
[M+NH4]+ 599.97437 189.0
[M+K]+ 620.90371 192.3
[M+H-H2O]+ 564.93781 165.7
[M+HCOO]- 626.93875 195.6
[M+CH3COO]- 640.95440 243.3
[M+Na-2H]- 602.91522 177.5
[M]+ 581.94000 178.6
[M]- 581.94110 178.6
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

patents stripe