CID 85816085

40630-68-0

Structural Information

Molecular Formula
C7H8F9NO3S
SMILES
COCCNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H8F9NO3S/c1-20-3-2-17-21(18,19)7(15,16)5(10,11)4(8,9)6(12,13)14/h17H,2-3H2,1H3
InChIKey
CHVVZRWVLRCPLZ-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-methoxyethyl)butane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.00812 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.01540 191.5
[M+Na]+ 379.99734 191.1
[M+NH4]+ 375.04194 190.2
[M+K]+ 395.97128 188.5
[M-H]- 356.00084 182.7
[M+Na-2H]- 377.98279 187.6
[M]+ 357.00757 188.7
[M]- 357.00867 188.7
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

No patent data available for this compound.