CID 67791

Ethyl fluorosulfate

Structural Information

Molecular Formula
C2H5FO3S
SMILES
CCOS(=O)(=O)F
InChI
InChI=1S/C2H5FO3S/c1-2-6-7(3,4)5/h2H2,1H3
InChIKey
KRRYGFCJUCTWMH-UHFFFAOYSA-N
Compound name
fluorosulfonyloxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1594
Patents

127.99435 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.00163 117.4
[M+Na]+ 150.98357 127.0
[M-H]- 126.98707 117.3
[M+NH4]+ 146.02817 140.0
[M+K]+ 166.95751 126.8
[M+H-H2O]+ 110.99161 112.6
[M+HCOO]- 172.99255 135.5
[M+CH3COO]- 187.00820 166.2
[M+Na-2H]- 148.96902 123.0
[M]+ 127.99380 120.4
[M]- 127.99490 120.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe