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

No literature data available for this compound.

Patent stripe

patents stripe