CID 105236

2-(n-(1,1-dihydroperfluorotridecylsulfonyl)-n-methylamino)ethyl acrylate

Structural Information

Molecular Formula
C19H12F25NO4S
SMILES
CN(CCOC(=O)C=C)S(=O)(=O)CC(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
InChI
InChI=1S/C19H12F25NO4S/c1-3-7(46)49-5-4-45(2)50(47,48)6-8(20,21)9(22,23)10(24,25)11(26,27)12(28,29)13(30,31)14(32,33)15(34,35)16(36,37)17(38,39)18(40,41)19(42,43)44/h3H,1,4-6H2,2H3
InChIKey
NYDXNYWTPDRONX-UHFFFAOYSA-N
Compound name
2-[methyl(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentacosafluorotridecylsulfonyl)amino]ethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

825.0088 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 826.01608 227.3
[M+Na]+ 847.99802 230.6
[M-H]- 824.00152 242.1
[M+NH4]+ 843.04262 243.6
[M+K]+ 863.97196 246.0
[M+H-H2O]+ 808.00606 213.7
[M+HCOO]- 870.00700 241.1
[M+CH3COO]- 884.02265 275.8
[M+Na-2H]- 845.98347 226.4
[M]+ 825.00825 227.9
[M]- 825.00935 227.9
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.