CID 20436297

Schembl11058718

Structural Information

Molecular Formula
C12H13F13N2O3S
SMILES
CC(=O)N(C)CCCNS(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H13F13N2O3S/c1-6(28)27(2)5-3-4-26-31(29,30)12(24,25)10(19,20)8(15,16)7(13,14)9(17,18)11(21,22)23/h26H,3-5H2,1-2H3
InChIKey
BOWXGFUAADANLG-UHFFFAOYSA-N
Compound name
N-methyl-N-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonylamino)propyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

512.04395 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.05123 184.8
[M+Na]+ 535.03317 184.1
[M+NH4]+ 530.07777 183.5
[M+K]+ 551.00711 183.0
[M-H]- 511.03667 180.2
[M+Na-2H]- 533.01862 182.6
[M]+ 512.04340 183.3
[M]- 512.04450 183.3
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