CID 138396359

Dtxsid10896037

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/c1-3-21-5(19)4(2)22(20)9(17,18)7(12,13)6(10,11)8(14,15)16/h2-3H2,1H3
InChIKey
IRRRBLZNXPWFNN-UHFFFAOYSA-N
Compound name
ethyl 2-(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

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.00450 162.5
[M+Na]+ 388.98644 169.8
[M-H]- 364.98994 151.6
[M+NH4]+ 384.03104 174.4
[M+K]+ 404.96038 167.1
[M+H-H2O]+ 348.99448 150.9
[M+HCOO]- 410.99542 163.0
[M+CH3COO]- 425.01107 211.3
[M+Na-2H]- 386.97189 161.2
[M]+ 365.99667 152.9
[M]- 365.99777 152.9
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.