CID 20436299

N-(3-aminopropyl)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide

Structural Information

Molecular Formula
C11H9F17N2O2S
SMILES
C(CN)CNS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H9F17N2O2S/c12-4(13,6(16,17)8(20,21)10(24,25)26)5(14,15)7(18,19)9(22,23)11(27,28)33(31,32)30-3-1-2-29/h30H,1-3,29H2
InChIKey
IOOWGYMOCNYMST-UHFFFAOYSA-N
Compound name
N-(3-aminopropyl)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

556.01135 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.01863 171.1
[M+Na]+ 579.00057 176.5
[M-H]- 555.00407 180.0
[M+NH4]+ 574.04517 178.6
[M+K]+ 594.97451 184.3
[M+H-H2O]+ 539.00861 157.5
[M+HCOO]- 601.00955 188.5
[M+CH3COO]- 615.02520 246.1
[M+Na-2H]- 576.98602 169.4
[M]+ 556.01080 168.0
[M]- 556.01190 168.0
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.