CID 109918

Einecs 269-465-7

Structural Information

Molecular Formula
C10H12F11NO3S
SMILES
CN(CCCCO)S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H12F11NO3S/c1-22(4-2-3-5-23)26(24,25)10(20,21)8(15,16)6(11,12)7(13,14)9(17,18)19/h23H,2-5H2,1H3
InChIKey
YZMJHIOSEWYVSR-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-(4-hydroxybutyl)-N-methylpentane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

435.03622 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.04350 179.1
[M+Na]+ 458.02544 185.6
[M-H]- 434.02894 171.7
[M+NH4]+ 453.07004 175.1
[M+K]+ 473.99938 182.7
[M+H-H2O]+ 418.03348 165.7
[M+HCOO]- 480.03442 185.1
[M+CH3COO]- 494.05007 225.6
[M+Na-2H]- 456.01089 181.4
[M]+ 435.03567 167.6
[M]- 435.03677 167.6
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.