CID 104521

3-(perfluorobutanesulfonamido)-n,n,n-trimethylpropan-1-aminium

Structural Information

Molecular Formula
C10H16F9N2O2S
SMILES
C[N+](C)(C)CCCNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H16F9N2O2S/c1-21(2,3)6-4-5-20-24(22,23)10(18,19)8(13,14)7(11,12)9(15,16)17/h20H,4-6H2,1-3H3/q+1
InChIKey
VFXIIEQKSPWYPX-UHFFFAOYSA-N
Compound name
trimethyl-[3-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4
Patents

399.0789 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.08618 167.0
[M+Na]+ 422.06812 173.4
[M-H]- 398.07162 187.5
[M+NH4]+ 417.11272 188.5
[M+K]+ 438.04206 165.6
[M+H-H2O]+ 382.07616 157.5
[M+HCOO]- 444.07710 205.3
[M+CH3COO]- 458.09275 217.7
[M+Na-2H]- 420.05357 175.3
[M]+ 399.07835 182.0
[M]- 399.07945 182.0
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

patents stripe