CID 138394446

Perfluorohexane sulfonamido amine oxide

Structural Information

Molecular Formula
C11H13F13N2O3S
SMILES
C[N+](C)(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/C11H13F13N2O3S/c1-26(2,27)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,3-5H2,1-2H3
InChIKey
AJHOIKIILYAOBA-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonylamino)propan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

500.0439 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.05118 192.7
[M+Na]+ 523.03312 196.6
[M-H]- 499.03662 199.8
[M+NH4]+ 518.07772 200.7
[M+K]+ 539.00706 204.7
[M+H-H2O]+ 483.04116 172.7
[M+HCOO]- 545.04210 212.8
[M+CH3COO]- 559.05775 230.8
[M+Na-2H]- 521.01857 187.3
[M]+ 500.04335 189.7
[M]- 500.04445 189.7
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.