CID 101895126

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-n-(2-oxoethyl)octane-1-sulfonamide

Structural Information

Molecular Formula
C10H4F17NO3S
SMILES
C(C=O)NS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H4F17NO3S/c11-3(12,5(15,16)7(19,20)9(23,24)25)4(13,14)6(17,18)8(21,22)10(26,27)32(30,31)28-1-2-29/h2,28H,1H2
InChIKey
DTKWOQZHQQMDSO-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-oxoethyl)octane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

540.96405 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.97133 170.8
[M+Na]+ 563.95327 175.7
[M-H]- 539.95677 179.7
[M+NH4]+ 558.99787 180.8
[M+K]+ 579.92721 183.8
[M+H-H2O]+ 523.96131 158.6
[M+HCOO]- 585.96225 191.1
[M+CH3COO]- 599.97790 240.7
[M+Na-2H]- 561.93872 169.7
[M]+ 540.96350 170.7
[M]- 540.96460 170.7
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

No patent data available for this compound.