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

0
Patents

139.99434 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.00162 120.4
[M+Na]+ 162.98356 129.6
[M-H]- 138.98706 120.3
[M+NH4]+ 158.02816 142.5
[M+K]+ 178.95750 129.0
[M+H-H2O]+ 122.99160 115.6
[M+HCOO]- 184.99254 137.4
[M+CH3COO]- 199.00819 169.1
[M+Na-2H]- 160.96901 124.5
[M]+ 139.99379 122.6
[M]- 139.99489 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

No patent data available for this compound.