CID 110556

68555-75-9

Structural Information

Molecular Formula
C9H8F13NO3S
SMILES
CN(CCO)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/C9H8F13NO3S/c1-23(2-3-24)27(25,26)9(21,22)7(16,17)5(12,13)4(10,11)6(14,15)8(18,19)20/h24H,2-3H2,1H3
InChIKey
UYIBZOUSVFOPJK-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(2-hydroxyethyl)-N-methylhexane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

12
Patents

457.00174 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.00902 165.4
[M+Na]+ 479.99096 171.4
[M-H]- 455.99446 171.9
[M+NH4]+ 475.03556 174.4
[M+K]+ 495.96490 176.4
[M+H-H2O]+ 439.99900 165.8
[M+HCOO]- 501.99994 183.5
[M+CH3COO]- 516.01559 228.8
[M+Na-2H]- 477.97641 183.1
[M]+ 457.00119 165.6
[M]- 457.00229 165.6
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