CID 138395010

3-[(perfluorobutane-1-sulfonyl)amino]-n,n-dimethylpropan-1-amine n-oxide

Structural Information

Molecular Formula
C9H13F9N2O3S
SMILES
C[N+](C)(CCCNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)[O-]
InChI
InChI=1S/C9H13F9N2O3S/c1-20(2,21)5-3-4-19-24(22,23)9(17,18)7(12,13)6(10,11)8(14,15)16/h19H,3-5H2,1-2H3
InChIKey
HQIKMYJOLJOSOX-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)propan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

400.05032 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.05760 181.0
[M+Na]+ 423.03954 186.2
[M-H]- 399.04304 184.7
[M+NH4]+ 418.08414 186.6
[M+K]+ 439.01348 189.7
[M+H-H2O]+ 383.04758 163.4
[M+HCOO]- 445.04852 201.9
[M+CH3COO]- 459.06417 213.5
[M+Na-2H]- 421.02499 175.3
[M]+ 400.04977 178.6
[M]- 400.05087 178.6
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.