CID 110554

N-ethyl-pentadecafluoro-n-(2-hydroxyethyl)-1-heptanesulfonamide

Structural Information

Molecular Formula
C11H10F15NO3S
SMILES
CCN(CCO)S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H10F15NO3S/c1-2-27(3-4-28)31(29,30)11(25,26)9(20,21)7(16,17)5(12,13)6(14,15)8(18,19)10(22,23)24/h28H,2-4H2,1H3
InChIKey
HINASMOVWHGCAK-UHFFFAOYSA-N
Compound name
N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-(2-hydroxyethyl)heptane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

521.01416 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.02144 172.8
[M+Na]+ 544.00338 172.5
[M+NH4]+ 539.04798 172.1
[M+K]+ 559.97732 172.1
[M-H]- 520.00688 170.0
[M+Na-2H]- 541.98883 171.9
[M]+ 521.01361 171.9
[M]- 521.01471 171.9
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