CID 155047

N-ethyl-1,1,2,2,3,3,4,4,4-nonafluoro-n-[2-(2-hydroxyethoxy)ethyl]butane-1-sulfonamide

Structural Information

Molecular Formula
C10H14F9NO4S
SMILES
CCN(CCOCCO)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H14F9NO4S/c1-2-20(3-5-24-6-4-21)25(22,23)10(18,19)8(13,14)7(11,12)9(15,16)17/h21H,2-6H2,1H3
InChIKey
JKHHFEXZMNPPKM-UHFFFAOYSA-N
Compound name
N-ethyl-1,1,2,2,3,3,4,4,4-nonafluoro-N-[2-(2-hydroxyethoxy)ethyl]butane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

415.05 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.05728 177.3
[M+Na]+ 438.03922 183.2
[M-H]- 414.04272 165.9
[M+NH4]+ 433.08382 174.6
[M+K]+ 454.01316 180.9
[M+H-H2O]+ 398.04726 164.8
[M+HCOO]- 460.04820 185.0
[M+CH3COO]- 474.06385 221.5
[M+Na-2H]- 436.02467 179.5
[M]+ 415.04945 169.6
[M]- 415.05055 169.6
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

No patent data available for this compound.