CID 105438

Einecs 266-726-7

Structural Information

Molecular Formula
C10H6F15NO2S
SMILES
C=CCNS(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H6F15NO2S/c1-2-3-26-29(27,28)10(24,25)8(19,20)6(15,16)4(11,12)5(13,14)7(17,18)9(21,22)23/h2,26H,1,3H2
InChIKey
BWDDXILIAIZLEX-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-N-prop-2-enylheptane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

488.98798 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.99526 167.4
[M+Na]+ 511.97720 173.3
[M-H]- 487.98070 174.1
[M+NH4]+ 507.02180 175.8
[M+K]+ 527.95114 179.7
[M+H-H2O]+ 471.98524 156.1
[M+HCOO]- 533.98618 187.8
[M+CH3COO]- 548.00183 233.8
[M+Na-2H]- 509.96265 165.7
[M]+ 488.98743 167.3
[M]- 488.98853 167.3
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.