CID 3022203

93762-11-9

Structural Information

Molecular Formula
C7H8F9NO3S
SMILES
CN(CCO)S(=O)(=O)C(C(C(F)(F)F)(C(F)(F)F)F)(F)F
InChI
InChI=1S/C7H8F9NO3S/c1-17(2-3-18)21(19,20)7(15,16)4(8,5(9,10)11)6(12,13)14/h18H,2-3H2,1H3
InChIKey
BMUYUEMLIWGNHZ-UHFFFAOYSA-N
Compound name
1,1,2,3,3,3-hexafluoro-N-(2-hydroxyethyl)-N-methyl-2-(trifluoromethyl)propane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

357.00812 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.015396 161.1
[M+Na]+ 379.997338 168.6
[M-H]- 356.000844 150.4
[M+NH4]+ 375.041943 173.1
[M+K]+ 395.971278 166.5
[M+H-H2O]+ 340.005380 149.4
[M+HCOO]- 402.006321 163.2
[M+CH3COO]- 416.021971 210.4
[M+Na-2H]- 377.982786 164.2
[M]+ 357.00757142 150.9
[M]- 357.00866858 150.9
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

No patent data available for this compound.