CID 170910315

Refchem:414484

Structural Information

Molecular Formula
C3H7FO4S
SMILES
C(C(CO)S(=O)(=O)F)O
InChI
InChI=1S/C3H7FO4S/c4-9(7,8)3(1-5)2-6/h3,5-6H,1-2H2
InChIKey
WZJHWHPGBUQGEZ-UHFFFAOYSA-N
Compound name
1,3-dihydroxypropane-2-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.00491 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.01219 126.2
[M+Na]+ 180.99413 133.9
[M-H]- 156.99763 122.8
[M+NH4]+ 176.03873 145.9
[M+K]+ 196.96807 132.4
[M+H-H2O]+ 141.00217 121.3
[M+HCOO]- 203.00311 140.0
[M+CH3COO]- 217.01876 166.9
[M+Na-2H]- 178.97958 129.3
[M]+ 158.00436 126.5
[M]- 158.00546 126.5
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.