CID 105441

N-ethyl-n-[(nonafluorobutyl)sulfonyl]glycine

Structural Information

Molecular Formula
C8H8F9NO4S
SMILES
CCN(CC(=O)O)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H8F9NO4S/c1-2-18(3-4(19)20)23(21,22)8(16,17)6(11,12)5(9,10)7(13,14)15/h2-3H2,1H3,(H,19,20)
InChIKey
PAOHBPWWJXVFBM-UHFFFAOYSA-N
Compound name
2-[ethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

17
Patents

385.00302 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.01030 194.0
[M+Na]+ 407.99224 193.1
[M+NH4]+ 403.03684 192.2
[M+K]+ 423.96618 191.2
[M-H]- 383.99574 184.8
[M+Na-2H]- 405.97769 189.6
[M]+ 385.00247 190.9
[M]- 385.00357 190.9
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