CID 170910315

1,3-dihydroxypropane-2-sulfonyl fluoride

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]+ 159.012186 126.2
[M+Na]+ 180.994128 133.9
[M-H]- 156.997634 122.8
[M+NH4]+ 176.038733 145.9
[M+K]+ 196.968068 132.4
[M+H-H2O]+ 141.002170 121.3
[M+HCOO]- 203.003111 140.0
[M+CH3COO]- 217.018761 166.9
[M+Na-2H]- 178.979576 129.3
[M]+ 158.00436142 126.5
[M]- 158.00545858 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.