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]+ 143.01728 122.6
[M+Na]+ 164.99922 131.3
[M-H]- 141.00272 120.8
[M+NH4]+ 160.04382 143.9
[M+K]+ 180.97316 129.8
[M+H-H2O]+ 125.00726 117.8
[M+HCOO]- 187.00820 138.9
[M+CH3COO]- 201.02385 166.5
[M+Na-2H]- 162.98467 127.2
[M]+ 142.00945 124.1
[M]- 142.01055 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.