CID 139598315

1-hydroxy-7:2 fluorotelomer sulfonic acid

Structural Information

Molecular Formula
C9H5F15O4S
SMILES
C(C(O)S(=O)(=O)O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H5F15O4S/c10-3(11,1-2(25)29(26,27)28)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h2,25H,1H2,(H,26,27,28)
InChIKey
ZZQKNCHBPCJOSC-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoro-1-hydroxynonane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

493.9669 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.97418 164.1
[M+Na]+ 516.95612 166.7
[M-H]- 492.95962 170.4
[M+NH4]+ 512.00072 171.7
[M+K]+ 532.93006 174.3
[M+H-H2O]+ 476.96416 152.4
[M+HCOO]- 538.96510 181.0
[M+CH3COO]- 552.98075 227.6
[M+Na-2H]- 514.94157 161.4
[M]+ 493.96635 164.3
[M]- 493.96745 164.3
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.