CID 71306749

29117-08-6

Structural Information

Molecular Formula
C14H14F17NO4S
SMILES
CCN(CCOCCO)S(=O)(=O)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
InChI
InChI=1S/C14H14F17NO4S/c1-2-32(3-5-36-6-4-33)37(34,35)14(30,31)12(25,26)10(21,22)8(17,18)7(15,16)9(19,20)11(23,24)13(27,28)29/h33H,2-6H2,1H3
InChIKey
PITHXNPHTSFHSW-UHFFFAOYSA-N
Compound name
N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-(2-hydroxyethoxy)ethyl]octane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

615.03723 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 616.04451 190.3
[M+Na]+ 638.02645 194.1
[M-H]- 614.02995 199.3
[M+NH4]+ 633.07105 201.8
[M+K]+ 654.00039 204.2
[M+H-H2O]+ 598.03449 178.1
[M+HCOO]- 660.03543 206.5
[M+CH3COO]- 674.05108 253.3
[M+Na-2H]- 636.01190 187.1
[M]+ 615.03668 190.3
[M]- 615.03778 190.3
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.