CID 105443

68957-31-3

Structural Information

Molecular Formula
C9H8F11NO4S
SMILES
CCN(CC(=O)O)S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H8F11NO4S/c1-2-21(3-4(22)23)26(24,25)9(19,20)7(14,15)5(10,11)6(12,13)8(16,17)18/h2-3H2,1H3,(H,22,23)
InChIKey
MJELJHFNXRAPHF-UHFFFAOYSA-N
Compound name
2-[ethyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

2
Patents

434.99985 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.00713 174.2
[M+Na]+ 457.98907 171.5
[M-H]- 433.99257 171.8
[M+NH4]+ 453.03367 174.6
[M+K]+ 473.96301 178.8
[M+H-H2O]+ 417.99711 161.2
[M+HCOO]- 479.99805 181.0
[M+CH3COO]- 494.01370 224.4
[M+Na-2H]- 455.97452 176.7
[M]+ 434.99930 164.7
[M]- 435.00040 164.8
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

patents stripe