CID 102176

Glycine, n-ethyl-n-[(heptadecafluorooctyl)sulfonyl]-, ethyl ester

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
3
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 194.7
[M+Na]+ 636.01077 200.2
[M-H]- 612.01427 206.0
[M+NH4]+ 631.05537 209.5
[M+K]+ 651.98471 210.3
[M+H-H2O]+ 596.01881 183.9
[M+HCOO]- 658.01975 210.8
[M+CH3COO]- 672.03540 254.3
[M+Na-2H]- 633.99622 192.5
[M]+ 613.02100 195.6
[M]- 613.02210 195.6
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.