CID 21117705

N,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-n-(2-hydroxyethyl)dodecane-5-sulfonamide

Structural Information

Molecular Formula
C14H14F17NO3S
SMILES
CCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)S(=O)(=O)N(CCO)F
InChI
InChI=1S/C14H14F17NO3S/c1-2-3-4-7(15,36(34,35)32(31)5-6-33)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)30/h33H,2-6H2,1H3
InChIKey
ZFUCUZACOHLUFM-UHFFFAOYSA-N
Compound name
N,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-(2-hydroxyethyl)dodecane-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

599.0423 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 600.049576 189.6
[M+Na]+ 622.031518 193.8
[M-H]- 598.035024 198.0
[M+NH4]+ 617.076123 200.4
[M+K]+ 638.005458 203.9
[M+H-H2O]+ 582.039560 177.3
[M+HCOO]- 644.040501 205.8
[M+CH3COO]- 658.056151 251.7
[M+Na-2H]- 620.016966 186.5
[M]+ 599.04175142 189.3
[M]- 599.04284858 189.3
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.