CID 90507

24448-09-7

Structural Information

Molecular Formula
C11H8F17NO3S
SMILES
CN(CCO)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(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)9(22,23)7(18,19)5(14,15)4(12,13)6(16,17)8(20,21)10(24,25)26/h30H,2-3H2,1H3
InChIKey
PLGACQRCZCVKGK-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyethyl)-N-methyloctane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

250
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 178.6
[M+Na]+ 579.98458 183.3
[M-H]- 555.98808 187.9
[M+NH4]+ 575.02918 189.5
[M+K]+ 595.95852 192.4
[M+H-H2O]+ 539.99262 166.7
[M+HCOO]- 601.99356 195.9
[M+CH3COO]- 616.00921 244.6
[M+Na-2H]- 577.97003 176.9
[M]+ 556.99481 178.5
[M]- 556.99591 178.5
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