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]+ 571.034276 179.1
[M+Na]+ 593.016218 184.4
[M-H]- 569.019724 188.0
[M+NH4]+ 588.060823 187.4
[M+K]+ 608.990158 192.8
[M+H-H2O]+ 553.024260 165.7
[M+HCOO]- 615.025201 196.6
[M+CH3COO]- 629.040851 249.0
[M+Na-2H]- 591.001666 176.9
[M]+ 570.02645142 176.7
[M]- 570.02754858 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

literature stripe

Patent stripe

patents stripe