CID 125498317

Dtxsid00896086

Structural Information

Molecular Formula
C10H10F13NO2S
SMILES
CCN(CC)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/C10H10F13NO2S/c1-3-24(4-2)27(25,26)10(22,23)8(17,18)6(13,14)5(11,12)7(15,16)9(19,20)21/h3-4H2,1-2H3
InChIKey
KRVYEQXJBYQTOX-UHFFFAOYSA-N
Compound name
N,N-diethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

455.02246 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.02974 182.1
[M+Na]+ 478.01168 177.8
[M-H]- 454.01518 176.6
[M+NH4]+ 473.05628 180.8
[M+K]+ 493.98562 186.9
[M+H-H2O]+ 438.01972 167.5
[M+HCOO]- 500.02066 189.7
[M+CH3COO]- 514.03631 232.0
[M+Na-2H]- 475.99713 184.5
[M]+ 455.02191 171.8
[M]- 455.02301 171.8
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

patents stripe