CID 77797

Sulfluramid

Structural Information

Molecular Formula
C10H6F17NO2S
SMILES
CCNS(=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/c1-2-28-31(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/h28H,2H2,1H3
InChIKey
CCEKAJIANROZEO-UHFFFAOYSA-N
Compound name
N-ethyl-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
7
Annotation Hits

58
References

49448
Patents

526.9848 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.99208 171.6
[M+Na]+ 549.97402 176.6
[M-H]- 525.97752 179.4
[M+NH4]+ 545.01862 180.8
[M+K]+ 565.94796 185.0
[M+H-H2O]+ 509.98206 159.3
[M+HCOO]- 571.98300 191.4
[M+CH3COO]- 585.99865 240.0
[M+Na-2H]- 547.95947 170.4
[M]+ 526.98425 171.6
[M]- 526.98535 171.6
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