CID 155293337

Ns00011338

Structural Information

Molecular Formula
C13H12F17N3O4S
SMILES
CN(C(CCNS(=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)N(C)[O-])[O-]
InChI
InChI=1S/C13H12F17N3O4S/c1-32(34)5(33(2)35)3-4-31-38(36,37)13(29,30)11(24,25)9(20,21)7(16,17)6(14,15)8(18,19)10(22,23)12(26,27)28/h5,31H,3-4H2,1-2H3/q-2
InChIKey
RBRTWWNNTDCXSP-UHFFFAOYSA-N
Compound name
N-[3,3-bis[methyl(oxido)amino]propyl]-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

629.0277 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 630.03498 194.6
[M+Na]+ 652.01692 199.0
[M-H]- 628.02042 206.4
[M+NH4]+ 647.06152 208.4
[M+K]+ 667.99086 215.7
[M+H-H2O]+ 612.02496 176.3
[M+HCOO]- 674.02590 202.6
[M+CH3COO]- 688.04155 258.0
[M+Na-2H]- 650.00237 192.1
[M]+ 629.02715 189.3
[M]- 629.02825 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

No patent data available for this compound.