CID 101729130

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

Structural Information

Molecular Formula
C9H16F7N2O2S
SMILES
C[N+](C)(C)CCCNS(=O)(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H16F7N2O2S/c1-18(2,3)6-4-5-17-21(19,20)9(15,16)7(10,11)8(12,13)14/h17H,4-6H2,1-3H3/q+1
InChIKey
CASSAIPKJYYJHB-UHFFFAOYSA-N
Compound name
3-(1,1,2,2,3,3,3-heptafluoropropylsulfonylamino)propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

349.08206 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.08934 158.5
[M+Na]+ 372.07128 165.0
[M-H]- 348.07478 151.5
[M+NH4]+ 367.11588 182.3
[M+K]+ 388.04522 157.5
[M+H-H2O]+ 332.07932 150.5
[M+HCOO]- 394.08026 164.9
[M+CH3COO]- 408.09591 208.6
[M+Na-2H]- 370.05673 166.8
[M]+ 349.08151 150.1
[M]- 349.08261 150.1
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.