CID 102055960

958822-85-0

Structural Information

Molecular Formula
C13H17F13N2O3S
SMILES
CN(C)CCCN(O)S(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H17F13N2O3S/c1-27(2)5-3-6-28(29)32(30,31)7-4-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h29H,3-7H2,1-2H3
InChIKey
CUJCSBFFGKTHSK-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-hydroxyoctane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

528.07526 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.08254 185.9
[M+Na]+ 551.06448 193.3
[M-H]- 527.06798 194.8
[M+NH4]+ 546.10908 197.2
[M+K]+ 567.03842 199.3
[M+H-H2O]+ 511.07252 176.4
[M+HCOO]- 573.07346 200.1
[M+CH3COO]- 587.08911 246.6
[M+Na-2H]- 549.04993 182.5
[M]+ 528.07471 184.5
[M]- 528.07581 184.5
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.