CID 106087

Einecs 267-708-1

Structural Information

Molecular Formula
C12H10F15NO2S
SMILES
CCN(CC=C)S(=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/C12H10F15NO2S/c1-3-5-28(4-2)31(29,30)12(26,27)10(21,22)8(17,18)6(13,14)7(15,16)9(19,20)11(23,24)25/h3H,1,4-5H2,2H3
InChIKey
ZVXUTAWOTSBUQR-UHFFFAOYSA-N
Compound name
N-ethyl-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

517.0193 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.02658 179.5
[M+Na]+ 540.00852 186.3
[M-H]- 516.01202 187.3
[M+NH4]+ 535.05312 191.0
[M+K]+ 555.98246 193.8
[M+H-H2O]+ 500.01656 169.3
[M+HCOO]- 562.01750 198.5
[M+CH3COO]- 576.03315 241.6
[M+Na-2H]- 537.99397 177.7
[M]+ 517.01875 180.2
[M]- 517.01985 180.2
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.