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
2
Annotation Hits

1
References

4
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 176.5
[M+Na]+ 549.97402 182.7
[M-H]- 525.97752 186.0
[M+NH4]+ 545.01862 188.8
[M+K]+ 565.94796 191.4
[M+H-H2O]+ 509.98206 165.6
[M+HCOO]- 571.98300 195.5
[M+CH3COO]- 585.99865 242.7
[M+Na-2H]- 547.95947 176.0
[M]+ 526.98425 177.5
[M]- 526.98535 177.5
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.