CID 102176

1869-77-8

Structural Information

Molecular Formula
C14H12F17NO4S
SMILES
CCN(CC(=O)OCC)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/C14H12F17NO4S/c1-3-32(5-6(33)36-4-2)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/h3-5H2,1-2H3
InChIKey
LMUUXHHNCDERBQ-UHFFFAOYSA-N
Compound name
ethyl 2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

613.02155 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 614.02883 155.5
[M+Na]+ 636.01077 155.6
[M+NH4]+ 631.05537 155.7
[M+K]+ 651.98471 155.8
[M-H]- 612.01427 155.4
[M+Na-2H]- 633.99622 155.3
[M]+ 613.02100 155.6
[M]- 613.02210 155.6
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.