CID 118688

1-butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-n-(2-hydroxyethyl)-n-methyl-

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

2
References

452
Patents

357.00812 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.01540 161.0
[M+Na]+ 379.99734 168.4
[M-H]- 356.00084 150.2
[M+NH4]+ 375.04194 172.9
[M+K]+ 395.97128 166.2
[M+H-H2O]+ 340.00538 149.3
[M+HCOO]- 402.00632 163.1
[M+CH3COO]- 416.02197 211.1
[M+Na-2H]- 377.98279 164.1
[M]+ 357.00757 150.8
[M]- 357.00867 150.8
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.