CID 3022847

93894-53-2

Structural Information

Molecular Formula
C7H9F8NO3S
SMILES
CN(CCO)S(=O)(=O)C(C(C(C(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H9F8NO3S/c1-16(2-3-17)20(18,19)7(14,15)6(12,13)5(10,11)4(8)9/h4,17H,2-3H2,1H3
InChIKey
HVRZEMISTDPHLI-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4-octafluoro-N-(2-hydroxyethyl)-N-methylbutane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

339.01755 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.02483 157.6
[M+Na]+ 362.00677 164.4
[M-H]- 338.01027 147.7
[M+NH4]+ 357.05137 170.2
[M+K]+ 377.98071 162.5
[M+H-H2O]+ 322.01481 146.3
[M+HCOO]- 384.01575 161.2
[M+CH3COO]- 398.03140 209.0
[M+Na-2H]- 359.99222 159.0
[M]+ 339.01700 149.1
[M]- 339.01810 149.1
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.