CID 173048

68758-56-5

Structural Information

Molecular Formula
C23H12F33NO4S
SMILES
CN(CCOC(=O)C=C)S(=O)(=O)CC(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C23H12F33NO4S/c1-3-7(58)61-5-4-57(2)62(59,60)6-8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)13(34,35)14(36,37)15(38,39)16(40,41)17(42,43)18(44,45)19(46,47)20(48,49)21(50,51)22(52,53)23(54,55)56/h3H,1,4-6H2,2H3
InChIKey
KSRNSIIMBGIEPL-UHFFFAOYSA-N
Compound name
2-[methyl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-tritriacontafluoroheptadecylsulfonyl)amino]ethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1024.996 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1026.0033 152.5
[M+Na]+ 1047.9852 152.5
[M+NH4]+ 1043.0298 152.5
[M+K]+ 1063.9592 152.5
[M-H]- 1023.9887 152.5
[M+Na-2H]- 1045.9707 152.5
[M]+ 1024.9955 152.5
[M]- 1024.9965 152.5
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.