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
3
Annotation Hits

0
References

5
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 186.4
[M+Na]+ 583.99832 193.1
[M-H]- 560.00182 197.1
[M+NH4]+ 579.04292 200.8
[M+K]+ 599.97226 200.9
[M+H-H2O]+ 544.00636 176.8
[M+HCOO]- 606.00730 203.5
[M+CH3COO]- 620.02295 246.4
[M+Na-2H]- 581.98377 184.4
[M]+ 561.00855 187.2
[M]- 561.00965 187.2
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

patents stripe