CID 384399

Ethyl 3-[4-(dimethylamino)phenyl]-2-(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)prop-2-enoate

Structural Information

Molecular Formula
C17H16F9NO4S
SMILES
CCOC(=O)C(=CC1=CC=C(C=C1)N(C)C)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C17H16F9NO4S/c1-4-31-13(28)12(9-10-5-7-11(8-6-10)27(2)3)32(29,30)17(25,26)15(20,21)14(18,19)16(22,23)24/h5-9H,4H2,1-3H3
InChIKey
YJYBQFZUOVGCIU-UHFFFAOYSA-N
Compound name
ethyl 3-[4-(dimethylamino)phenyl]-2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.06564 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.07292 204.5
[M+Na]+ 524.05486 204.0
[M+NH4]+ 519.09946 202.6
[M+K]+ 540.02880 201.6
[M-H]- 500.05836 196.2
[M+Na-2H]- 522.04031 201.1
[M]+ 501.06509 201.8
[M]- 501.06619 201.8
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

No patent data available for this compound.