CID 163324818

6:2 fluorotelomer sulfonamido propionaldehyde

Structural Information

Molecular Formula
C11H10F13NO3S
SMILES
C(CNS(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C=O
InChI
InChI=1S/C11H10F13NO3S/c12-6(13,2-5-29(27,28)25-3-1-4-26)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h4,25H,1-3,5H2
InChIKey
JOZNZKNHTRLKIW-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-(3-oxopropyl)octane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

483.0174 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.024676 169.4
[M+Na]+ 506.006618 175.2
[M-H]- 482.010124 174.5
[M+NH4]+ 501.051223 177.2
[M+K]+ 521.980558 180.1
[M+H-H2O]+ 466.014660 159.2
[M+HCOO]- 528.015601 189.6
[M+CH3COO]- 542.031251 232.5
[M+Na-2H]- 503.992066 166.3
[M]+ 483.01685142 169.3
[M]- 483.01794858 169.3
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.