CID 61490505

2-(2,2,2-trifluoroethoxy)ethane-1-sulfonamide

Structural Information

Molecular Formula
C4H8F3NO3S
SMILES
C(CS(=O)(=O)N)OCC(F)(F)F
InChI
InChI=1S/C4H8F3NO3S/c5-4(6,7)3-11-1-2-12(8,9)10/h1-3H2,(H2,8,9,10)
InChIKey
BTNPPKFVEDCMLC-UHFFFAOYSA-N
Compound name
2-(2,2,2-trifluoroethoxy)ethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.0177 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.02498 135.4
[M+Na]+ 230.00692 143.5
[M-H]- 206.01042 131.4
[M+NH4]+ 225.05152 154.0
[M+K]+ 245.98086 141.7
[M+H-H2O]+ 190.01496 128.1
[M+HCOO]- 252.01590 149.4
[M+CH3COO]- 266.03155 181.7
[M+Na-2H]- 227.99237 139.2
[M]+ 207.01715 134.1
[M]- 207.01825 134.1
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.