CID 155049

N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-n-[2-(2-hydroxyethoxy)ethyl]heptane-1-sulfonamide

Structural Information

Molecular Formula
C13H14F15NO4S
SMILES
CCN(CCOCCO)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/C13H14F15NO4S/c1-2-29(3-5-33-6-4-30)34(31,32)13(27,28)11(22,23)9(18,19)7(14,15)8(16,17)10(20,21)12(24,25)26/h30H,2-6H2,1H3
InChIKey
QXDNTOUKCXKKHT-UHFFFAOYSA-N
Compound name
N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-[2-(2-hydroxyethoxy)ethyl]heptane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

565.0404 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 566.04768 183.8
[M+Na]+ 588.02962 188.2
[M-H]- 564.03312 191.5
[M+NH4]+ 583.07422 194.4
[M+K]+ 604.00356 196.4
[M+H-H2O]+ 548.03766 172.7
[M+HCOO]- 610.03860 200.4
[M+CH3COO]- 624.05425 246.2
[M+Na-2H]- 586.01507 180.2
[M]+ 565.03985 183.7
[M]- 565.04095 183.7
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