CID 102237

2263-09-4

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

11
Patents

599.0423 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 600.04958 189.6
[M+Na]+ 622.03152 193.8
[M-H]- 598.03502 198.0
[M+NH4]+ 617.07612 200.4
[M+K]+ 638.00546 203.9
[M+H-H2O]+ 582.03956 177.3
[M+HCOO]- 644.04050 205.8
[M+CH3COO]- 658.05615 251.7
[M+Na-2H]- 620.01697 186.5
[M]+ 599.04175 189.3
[M]- 599.04285 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

patents stripe