CID 115011367

2-oxopropane-1-sulfonyl fluoride

Structural Information

Molecular Formula
C3H5FO3S
SMILES
CC(=O)CS(=O)(=O)F
InChI
InChI=1S/C3H5FO3S/c1-3(5)2-8(4,6)7/h2H2,1H3
InChIKey
KNEVSMIINCEXKB-UHFFFAOYSA-N
Compound name
2-oxopropane-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

139.99434 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.001616 120.4
[M+Na]+ 162.983558 129.6
[M-H]- 138.987064 120.3
[M+NH4]+ 158.028163 142.5
[M+K]+ 178.957498 129.0
[M+H-H2O]+ 122.991600 115.6
[M+HCOO]- 184.992541 137.4
[M+CH3COO]- 199.008191 169.1
[M+Na-2H]- 160.969006 124.5
[M]+ 139.99379142 122.6
[M]- 139.99488858 122.6
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