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
3
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 175.5
[M+Na]+ 544.00338 180.7
[M-H]- 520.00688 183.3
[M+NH4]+ 539.04798 185.5
[M+K]+ 559.97732 188.2
[M+H-H2O]+ 504.01142 164.6
[M+HCOO]- 566.01236 192.9
[M+CH3COO]- 580.02801 239.5
[M+Na-2H]- 541.98883 173.1
[M]+ 521.01361 175.5
[M]- 521.01471 175.5
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