CID 103440

Einecs 265-886-5

Structural Information

Molecular Formula
C11H4ClF19O2S
SMILES
C(CS(=O)(=O)Cl)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H4ClF19O2S/c12-34(32,33)2-1-3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)31/h1-2H2
InChIKey
UKNLPYXLGGKLMW-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

595.9317 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 596.93898 179.8
[M+Na]+ 618.92092 183.7
[M-H]- 594.92442 187.6
[M+NH4]+ 613.96552 191.1
[M+K]+ 634.89486 195.0
[M+H-H2O]+ 578.92896 167.9
[M+HCOO]- 640.92990 200.5
[M+CH3COO]- 654.94555 246.0
[M+Na-2H]- 616.90637 179.4
[M]+ 595.93115 183.6
[M]- 595.93225 183.6
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.