CID 53432075

[ethyl(3-{[(tridecafluorohexyl)sulfonyl]amino}propyl)amino]oxidanide

Structural Information

Molecular Formula
C11H12F13N2O3S
SMILES
CCN(CCCNS(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)[O-]
InChI
InChI=1S/C11H12F13N2O3S/c1-2-26(27)5-3-4-25-30(28,29)11(23,24)9(18,19)7(14,15)6(12,13)8(16,17)10(20,21)22/h25H,2-5H2,1H3/q-1
InChIKey
UYBICEDYTMPUQY-UHFFFAOYSA-N
Compound name
N-[3-[ethyl(oxido)amino]propyl]-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.0361 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.04338 177.7
[M+Na]+ 522.02532 183.3
[M-H]- 498.02882 183.7
[M+NH4]+ 517.06992 186.6
[M+K]+ 537.99926 192.3
[M+H-H2O]+ 482.03336 163.7
[M+HCOO]- 544.03430 192.7
[M+CH3COO]- 558.04995 237.7
[M+Na-2H]- 520.01077 173.9
[M]+ 499.03555 174.6
[M]- 499.03665 174.6
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.