CID 118690

N-ethyltridecafluoro-n-(2-hydroxyethyl)hexanesulphonamide

Structural Information

Molecular Formula
C10H10F13NO3S
SMILES
CCN(CCO)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/C10H10F13NO3S/c1-2-24(3-4-25)28(26,27)10(22,23)8(17,18)6(13,14)5(11,12)7(15,16)9(19,20)21/h25H,2-4H2,1H3
InChIKey
SSGYCIQAXNQIBC-UHFFFAOYSA-N
Compound name
N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(2-hydroxyethyl)hexane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2
Patents

471.0174 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.02468 169.3
[M+Na]+ 494.00662 175.1
[M-H]- 470.01012 175.5
[M+NH4]+ 489.05122 178.2
[M+K]+ 509.98056 180.4
[M+H-H2O]+ 454.01466 169.9
[M+HCOO]- 516.01560 187.0
[M+CH3COO]- 530.03125 231.4
[M+Na-2H]- 491.99207 166.6
[M]+ 471.01685 169.3
[M]- 471.01795 169.3
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