CID 159193

87988-61-2

Structural Information

Molecular Formula
C12H10F17NO2S
SMILES
CCN(CC)S(=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/C12H10F17NO2S/c1-3-30(4-2)33(31,32)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/h3-4H2,1-2H3
InChIKey
YMACLHHWYOVAOI-UHFFFAOYSA-N
Compound name
N,N-diethyl-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
1
Annotation Hits

1
References

28
Patents

555.01605 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 556.02333 183.9
[M+Na]+ 578.00527 189.7
[M-H]- 554.00877 192.8
[M+NH4]+ 573.04987 196.1
[M+K]+ 593.97921 199.1
[M+H-H2O]+ 538.01331 172.7
[M+HCOO]- 600.01425 202.2
[M+CH3COO]- 614.02990 247.5
[M+Na-2H]- 575.99072 182.5
[M]+ 555.01550 184.7
[M]- 555.01660 184.7
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