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

38959
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.