CID 105445

N-ethyl-n-((tridecafluorohexyl)sulfonyl)glycine

Structural Information

Molecular Formula
C10H8F13NO4S
SMILES
CCN(CC(=O)O)S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H8F13NO4S/c1-2-24(3-4(25)26)29(27,28)10(22,23)8(17,18)6(13,14)5(11,12)7(15,16)9(19,20)21/h2-3H2,1H3,(H,25,26)
InChIKey
ISFCQODURJEALJ-UHFFFAOYSA-N
Compound name
2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

484.99664 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.00392 184.0
[M+Na]+ 507.98586 183.4
[M+NH4]+ 503.03046 182.7
[M+K]+ 523.95980 182.3
[M-H]- 483.98936 179.2
[M+Na-2H]- 505.97131 181.7
[M]+ 484.99609 182.4
[M]- 484.99719 182.4
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