CID 139594697

Qapfsmd n=3

Structural Information

Molecular Formula
C10H18F7N2O3S
SMILES
C[N+](C)(CCCNS(=O)(=O)C(C(C(F)(F)F)(F)F)(F)F)CCO
InChI
InChI=1S/C10H18F7N2O3S/c1-19(2,6-7-20)5-3-4-18-23(21,22)10(16,17)8(11,12)9(13,14)15/h18,20H,3-7H2,1-2H3/q+1
InChIKey
DEVSAHFFCXFJBS-UHFFFAOYSA-N
Compound name
3-(1,1,2,2,3,3,3-heptafluoropropylsulfonylamino)propyl-(2-hydroxyethyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

379.09262 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.09990 165.6
[M+Na]+ 402.08184 171.0
[M-H]- 378.08534 156.8
[M+NH4]+ 397.12644 183.0
[M+K]+ 418.05578 162.8
[M+H-H2O]+ 362.08988 157.5
[M+HCOO]- 424.09082 201.0
[M+CH3COO]- 438.10647 210.9
[M+Na-2H]- 400.06729 173.6
[M]+ 379.09207 157.0
[M]- 379.09317 157.0
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.