CID 119030893

3-hydroxypropane-1-sulfonyl fluoride

Structural Information

Molecular Formula
C3H7FO3S
SMILES
C(CO)CS(=O)(=O)F
InChI
InChI=1S/C3H7FO3S/c4-8(6,7)3-1-2-5/h5H,1-3H2
InChIKey
FTKNVFKAXCNTQM-UHFFFAOYSA-N
Compound name
3-hydroxypropane-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.01 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.017276 122.6
[M+Na]+ 164.999218 131.3
[M-H]- 141.002724 120.8
[M+NH4]+ 160.043823 143.9
[M+K]+ 180.973158 129.8
[M+H-H2O]+ 125.007260 117.8
[M+HCOO]- 187.008201 138.9
[M+CH3COO]- 201.023851 166.5
[M+Na-2H]- 162.984666 127.2
[M]+ 142.00945142 124.1
[M]- 142.01054858 124.1
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.