CID 139598119

Kpflsa_i n=10

Structural Information

Molecular Formula
C11HF21O4S
SMILES
C(=O)(C(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)(F)F)(F)F)F
InChI
InChI=1S/C11HF21O4S/c12-1(33)2(13,14)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)37(34,35)36/h(H,34,35,36)
InChIKey
YYCPPFLRMDNGMC-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11-henicosafluoro-11-oxoundecane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

627.926 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 628.93328 185.0
[M+Na]+ 650.91522 187.4
[M-H]- 626.91872 196.1
[M+NH4]+ 645.95982 197.2
[M+K]+ 666.88916 199.7
[M+H-H2O]+ 610.92326 171.7
[M+HCOO]- 672.92420 202.4
[M+CH3COO]- 686.93985 249.0
[M+Na-2H]- 648.90067 184.5
[M]+ 627.92545 186.2
[M]- 627.92655 186.2
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

No patent data available for this compound.