CID 67636

Perfluorodecane sulfonic acid

Structural Information

Molecular Formula
C10HF21O3S
SMILES
C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10HF21O3S/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)35(32,33)34/h(H,32,33,34)
InChIKey
HYWZIAVPBSTISZ-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

26
References

855
Patents

599.9311 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 600.93838 153.0
[M+Na]+ 622.92032 153.0
[M+NH4]+ 617.96492 153.0
[M+K]+ 638.89426 153.0
[M-H]- 598.92382 153.0
[M+Na-2H]- 620.90577 152.9
[M]+ 599.93055 153.0
[M]- 599.93165 153.0
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

patents stripe