CID 106569

68084-62-8

Structural Information

Molecular Formula
C13H10F15NO4S
SMILES
CN(CCOC(=O)C=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/C13H10F15NO4S/c1-3-6(30)33-5-4-29(2)34(31,32)13(27,28)11(22,23)9(18,19)7(14,15)8(16,17)10(20,21)12(24,25)26/h3H,1,4-5H2,2H3
InChIKey
BEYGZFVOTUDDJK-UHFFFAOYSA-N
Compound name
2-[methyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]ethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

561.0091 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 562.01638 158.2
[M+Na]+ 583.99832 158.5
[M+NH4]+ 579.04292 158.8
[M+K]+ 599.97226 158.9
[M-H]- 560.00182 158.1
[M+Na-2H]- 581.98377 172.9
[M]+ 561.00855 158.4
[M]- 561.00965 158.4
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

patents stripe