CID 88708330

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-n-[3-(methylamino)propyl]octane-1-sulfonamide

Structural Information

Molecular Formula
C12H11F17N2O2S
SMILES
CNCCCNS(=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/C12H11F17N2O2S/c1-30-3-2-4-31-34(32,33)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27/h30-31H,2-4H2,1H3
InChIKey
OKSQBKOGKKWDQV-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[3-(methylamino)propyl]octane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

570.027 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.03428 179.1
[M+Na]+ 593.01622 184.4
[M-H]- 569.01972 188.0
[M+NH4]+ 588.06082 187.4
[M+K]+ 608.99016 192.8
[M+H-H2O]+ 553.02426 165.7
[M+HCOO]- 615.02520 196.6
[M+CH3COO]- 629.04085 249.0
[M+Na-2H]- 591.00167 176.9
[M]+ 570.02645 176.7
[M]- 570.02755 176.7
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.