CID 157338

Einecs 279-481-6

Structural Information

Molecular Formula
C13H16F13N2O3S
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/C13H16F13N2O3S/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/h3-7H2,1-2H3/q-1
InChIKey
COSQFXYPUSWVAZ-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-oxidooctane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

527.0674 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.07468 188.0
[M+Na]+ 550.05662 194.6
[M-H]- 526.06012 195.2
[M+NH4]+ 545.10122 200.2
[M+K]+ 566.03056 204.7
[M+H-H2O]+ 510.06466 175.3
[M+HCOO]- 572.06560 201.5
[M+CH3COO]- 586.08125 245.8
[M+Na-2H]- 548.04207 184.4
[M]+ 527.06685 185.9
[M]- 527.06795 185.9
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.