CID 22665224

N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-n-methylhexane-1-sulfonamide

Structural Information

Molecular Formula
C9H8F13NO2S
SMILES
CCN(C)S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H8F13NO2S/c1-3-23(2)26(24,25)9(21,22)7(16,17)5(12,13)4(10,11)6(14,15)8(18,19)20/h3H2,1-2H3
InChIKey
GVOWXVATHAHFAV-UHFFFAOYSA-N
Compound name
N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-methylhexane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

441.0068 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.01408 177.7
[M+Na]+ 463.99602 174.1
[M-H]- 439.99952 173.0
[M+NH4]+ 459.04062 177.0
[M+K]+ 479.96996 183.1
[M+H-H2O]+ 424.00406 163.3
[M+HCOO]- 486.00500 186.2
[M+CH3COO]- 500.02065 229.3
[M+Na-2H]- 461.98147 180.6
[M]+ 441.00625 168.1
[M]- 441.00735 168.1
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