CID 138396358

Dtxsid50896036

Structural Information

Molecular Formula
C9H7F9O3S
SMILES
CCOC(=O)/C=C/S(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H7F9O3S/c1-2-21-5(19)3-4-22(20)9(17,18)7(12,13)6(10,11)8(14,15)16/h3-4H,2H2,1H3/b4-3+
InChIKey
SCPDNSNLDOXQFM-ONEGZZNKSA-N
Compound name
ethyl (E)-3-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfinyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

365.99722 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.00450 164.5
[M+Na]+ 388.98644 172.0
[M-H]- 364.98994 153.5
[M+NH4]+ 384.03104 176.5
[M+K]+ 404.96038 168.9
[M+H-H2O]+ 348.99448 152.7
[M+HCOO]- 410.99542 165.8
[M+CH3COO]- 425.01107 209.9
[M+Na-2H]- 386.97189 164.0
[M]+ 365.99667 155.4
[M]- 365.99777 155.4
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.