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
4
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 165.3
[M+Na]+ 407.99224 172.1
[M-H]- 383.99574 154.4
[M+NH4]+ 403.03684 168.0
[M+K]+ 423.96618 170.3
[M+H-H2O]+ 368.00028 153.6
[M+HCOO]- 430.00122 175.8
[M+CH3COO]- 444.01687 215.6
[M+Na-2H]- 405.97769 167.7
[M]+ 385.00247 155.7
[M]- 385.00357 155.7
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