CID 175023

2-propenoic acid, 2-(methyl((3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-tritriacontafluorooctadecyl)sulfonyl)amino)ethyl ester

Structural Information

Molecular Formula
C24H14F33NO4S
SMILES
CN(CCOC(=O)C=C)S(=O)(=O)CCC(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/C24H14F33NO4S/c1-3-8(59)62-6-5-58(2)63(60,61)7-4-9(25,26)10(27,28)11(29,30)12(31,32)13(33,34)14(35,36)15(37,38)16(39,40)17(41,42)18(43,44)19(45,46)20(47,48)21(49,50)22(51,52)23(53,54)24(55,56)57/h3H,1,4-7H2,2H3
InChIKey
VYFGRTSCBLVROZ-UHFFFAOYSA-N
Compound name
2-[methyl(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-tritriacontafluorooctadecylsulfonyl)amino]ethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

1039.0117 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1040.0190 259.6
[M+Na]+ 1062.0009 261.2
[M-H]- 1038.0044 275.0
[M+NH4]+ 1057.0455 274.8
[M+K]+ 1077.9749 278.0
[M+H-H2O]+ 1022.0090 246.3
[M+HCOO]- 1084.0099 270.5
[M+CH3COO]- 1098.0256 284.7
[M+Na-2H]- 1059.9864 260.0
[M]+ 1039.0112 258.5
[M]- 1039.0122 258.5
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.