CID 3020879

85665-64-1

Structural Information

Molecular Formula
C11H12F13NO3S
SMILES
CCCN(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/C11H12F13NO3S/c1-2-3-25(4-5-26)29(27,28)11(23,24)9(18,19)7(14,15)6(12,13)8(16,17)10(20,21)22/h26H,2-5H2,1H3
InChIKey
LTDRWTUOFBENPA-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(2-hydroxyethyl)-N-propylhexane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

485.03302 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.04030 184.4
[M+Na]+ 508.02224 183.8
[M+NH4]+ 503.06684 183.2
[M+K]+ 523.99618 182.6
[M-H]- 484.02574 179.7
[M+Na-2H]- 506.00769 182.1
[M]+ 485.03247 182.8
[M]- 485.03357 182.8
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

patents stripe