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

392
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

literature stripe

Patent stripe

patents stripe