CID 21418853

213181-78-3

Structural Information

Molecular Formula
C10H6F17NO2S
SMILES
CN(C)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/C10H6F17NO2S/c1-28(2)31(29,30)10(26,27)8(21,22)6(17,18)4(13,14)3(11,12)5(15,16)7(19,20)9(23,24)25/h1-2H3
InChIKey
YVCGTNUSJFOHIW-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N,N-dimethyloctane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

526.9848 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.99208 164.2
[M+Na]+ 549.97402 164.2
[M+NH4]+ 545.01862 163.9
[M+K]+ 565.94796 164.4
[M-H]- 525.97752 162.8
[M+Na-2H]- 547.95947 164.3
[M]+ 526.98425 163.8
[M]- 526.98535 163.8
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