CID 44150469

93894-65-6

Structural Information

Molecular Formula
C11H8F17NO3S
SMILES
CN(CCO)S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H8F17NO3S/c1-29(2-3-30)33(31,32)11(27,28)8(19,20)7(17,18)6(15,16)5(13,14)4(12,9(21,22)23)10(24,25)26/h30H,2-3H2,1H3
InChIKey
GWYDYLUBKYFIHN-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoro-N-(2-hydroxyethyl)-N-methyl-6-(trifluoromethyl)heptane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

556.99536 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 558.00264 178.9
[M+Na]+ 579.98458 183.7
[M-H]- 555.98808 188.4
[M+NH4]+ 575.02918 189.9
[M+K]+ 595.95852 192.7
[M+H-H2O]+ 539.99262 167.0
[M+HCOO]- 601.99356 196.3
[M+CH3COO]- 616.00921 244.0
[M+Na-2H]- 577.97003 177.2
[M]+ 556.99481 178.8
[M]- 556.99591 178.8
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.