CID 139598000

Mopflsa n=6

Structural Information

Molecular Formula
C10HF21O5S
SMILES
C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(OC(C(OC(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10HF21O5S/c11-1(12,2(13,14)4(17,18)10(30,31)37(32,33)34)3(15,16)6(22,23)35-8(26,27)9(28,29)36-7(24,25)5(19,20)21/h(H,32,33,34)
InChIKey
YHGGSPPLYDWUQB-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]hexane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

631.92096 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 632.92824 153.0
[M+Na]+ 654.91018 153.0
[M+NH4]+ 649.95478 153.0
[M+K]+ 670.88412 153.0
[M-H]- 630.91368 153.0
[M+Na-2H]- 652.89563 153.0
[M]+ 631.92041 153.0
[M]- 631.92151 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.