CID 100948

59071-10-2

Structural Information

Molecular Formula
C14H12F15NO4S
SMILES
CCN(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/C14H12F15NO4S/c1-3-7(31)34-6-5-30(4-2)35(32,33)14(28,29)12(23,24)10(19,20)8(15,16)9(17,18)11(21,22)13(25,26)27/h3H,1,4-6H2,2H3
InChIKey
IIEYFHNUKYSWAV-UHFFFAOYSA-N
Compound name
2-[ethyl(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

7
Patents

575.0248 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 576.03208 190.1
[M+Na]+ 598.01402 196.6
[M-H]- 574.01752 200.5
[M+NH4]+ 593.05862 204.5
[M+K]+ 613.98796 204.8
[M+H-H2O]+ 558.02206 180.4
[M+HCOO]- 620.02300 206.9
[M+CH3COO]- 634.03865 248.9
[M+Na-2H]- 595.99947 187.6
[M]+ 575.02425 190.8
[M]- 575.02535 190.8
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