CID 105445

Einecs 273-331-3

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
3
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 170.7
[M+Na]+ 507.98586 177.0
[M-H]- 483.98936 179.5
[M+NH4]+ 503.03046 181.9
[M+K]+ 523.95980 182.4
[M+H-H2O]+ 467.99390 161.7
[M+HCOO]- 529.99484 186.9
[M+CH3COO]- 544.01049 232.9
[M+Na-2H]- 505.97131 168.5
[M]+ 484.99609 170.7
[M]- 484.99719 170.7
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