CID 87375330

Ethyl 2-(pentafluorosulfanyl)acetate

Structural Information

Molecular Formula
C4H7F5O2S
SMILES
CCOC(=O)CS(F)(F)(F)(F)F
InChI
InChI=1S/C4H7F5O2S/c1-2-11-4(10)3-12(5,6,7,8)9/h2-3H2,1H3
InChIKey
XOGPJHLQFLUFIH-UHFFFAOYSA-N
Compound name
ethyl 2-(pentafluoro-lambda6-sulfanyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

214.0087 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.01598 127.4
[M+Na]+ 236.99792 136.9
[M-H]- 213.00142 122.1
[M+NH4]+ 232.04252 146.7
[M+K]+ 252.97186 135.3
[M+H-H2O]+ 197.00596 119.5
[M+HCOO]- 259.00690 139.8
[M+CH3COO]- 273.02255 183.3
[M+Na-2H]- 234.98337 127.2
[M]+ 214.00815 124.8
[M]- 214.00925 124.8
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

patents stripe