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]+ 529.082536 185.9
[M+Na]+ 551.064478 193.3
[M-H]- 527.067984 194.8
[M+NH4]+ 546.109083 197.2
[M+K]+ 567.038418 199.3
[M+H-H2O]+ 511.072520 176.4
[M+HCOO]- 573.073461 200.1
[M+CH3COO]- 587.089111 246.6
[M+Na-2H]- 549.049926 182.5
[M]+ 528.07471142 184.5
[M]- 528.07580858 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.