CID 173048

2-propenoic acid, 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-tritriacontafluoroheptadecyl)sulfonyl)amino)ethyl ester

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
3
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 256.9
[M+Na]+ 1047.9852 258.5
[M-H]- 1023.9887 272.5
[M+NH4]+ 1043.0298 272.1
[M+K]+ 1063.9592 275.2
[M+H-H2O]+ 1007.9933 243.7
[M+HCOO]- 1069.9942 268.0
[M+CH3COO]- 1084.0099 283.5
[M+Na-2H]- 1045.9707 257.6
[M]+ 1024.9955 255.7
[M]- 1024.9965 255.7
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.