CID 122480878

1h,1h,2h,2h-perfluorohexanesulfonate (4:2) (4:2 fluorotelomer sulfonic acid)

Structural Information

Molecular Formula
C6H5F9O3S
SMILES
CC(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C6H5F9O3S/c1-2(7)3(8,9)4(10,11)5(12,13)6(14,15)19(16,17)18/h2H,1H3,(H,16,17,18)
InChIKey
OYEMCXOSIPKXPY-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5-nonafluorohexane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

327.98157 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.98885 152.6
[M+Na]+ 350.97079 160.8
[M-H]- 326.97429 140.8
[M+NH4]+ 346.01539 165.2
[M+K]+ 366.94473 158.1
[M+H-H2O]+ 310.97883 141.7
[M+HCOO]- 372.97977 152.7
[M+CH3COO]- 386.99542 201.8
[M+Na-2H]- 348.95624 155.2
[M]+ 327.98102 141.2
[M]- 327.98212 141.2
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