CID 109969

68298-13-5

Structural Information

Molecular Formula
C6H4F11NO2S
SMILES
CNS(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H4F11NO2S/c1-18-21(19,20)6(16,17)4(11,12)2(7,8)3(9,10)5(13,14)15/h18H,1H3
InChIKey
BKKNDZBSSSAGIB-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N-methylpentane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

13
Patents

362.9787 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.98598 160.5
[M+Na]+ 385.96792 168.9
[M-H]- 361.97142 148.0
[M+NH4]+ 381.01252 171.9
[M+K]+ 401.94186 165.8
[M+H-H2O]+ 345.97596 147.6
[M+HCOO]- 407.97690 160.2
[M+CH3COO]- 421.99255 212.0
[M+Na-2H]- 383.95337 164.6
[M]+ 362.97815 145.5
[M]- 362.97925 145.5
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

patents stripe