CID 139597477

Ns00002949

Structural Information

Molecular Formula
C9H14F9N2O3S
SMILES
C[N+](C)(CCCNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C9H14F9N2O3S/c1-20(2,21)5-3-4-19-24(22,23)9(17,18)7(12,13)6(10,11)8(14,15)16/h19,21H,3-5H2,1-2H3/q+1
InChIKey
LNQCZDDWRKBIOU-UHFFFAOYSA-N
Compound name
hydroxy-dimethyl-[3-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.05814 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.06542 164.9
[M+Na]+ 424.04736 182.7
[M-H]- 400.05086 182.2
[M+NH4]+ 419.09196 181.2
[M+K]+ 440.02130 163.1
[M+H-H2O]+ 384.05540 155.7
[M+HCOO]- 446.05634 198.2
[M+CH3COO]- 460.07199 214.2
[M+Na-2H]- 422.03281 173.9
[M]+ 401.05759 174.9
[M]- 401.05869 174.9
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.