CID 49869204

6:2 fluorotelomer sulfonamido propyl amine

Structural Information

Molecular Formula
C11H13F13N2O2S
SMILES
C(CN)CNS(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H13F13N2O2S/c12-6(13,2-5-29(27,28)26-4-1-3-25)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h26H,1-5,25H2
InChIKey
DLNFICFQUIYVBX-UHFFFAOYSA-N
Compound name
N-(3-aminopropyl)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

484.049 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.056276 167.9
[M+Na]+ 507.038218 174.3
[M-H]- 483.041724 173.3
[M+NH4]+ 502.082823 173.0
[M+K]+ 523.012158 178.5
[M+H-H2O]+ 467.046260 174.8
[M+HCOO]- 529.047201 185.1
[M+CH3COO]- 543.062851 235.6
[M+Na-2H]- 505.023666 192.1
[M]+ 484.04845142 164.6
[M]- 484.04954858 164.6
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