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]+ 557.018626 171.1
[M+Na]+ 579.000568 176.5
[M-H]- 555.004074 180.0
[M+NH4]+ 574.045173 178.6
[M+K]+ 594.974508 184.3
[M+H-H2O]+ 539.008610 157.5
[M+HCOO]- 601.009551 188.5
[M+CH3COO]- 615.025201 246.1
[M+Na-2H]- 576.986016 169.4
[M]+ 556.01080142 168.0
[M]- 556.01189858 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

literature stripe

Patent stripe

patents stripe