CID 155820341

2567489-21-6

Structural Information

Molecular Formula
C5H9FO3S
SMILES
C1C[C@@H](C[C@@H]1O)S(=O)(=O)F
InChI
InChI=1S/C5H9FO3S/c6-10(8,9)5-2-1-4(7)3-5/h4-5,7H,1-3H2/t4-,5+/m1/s1
InChIKey
GUWJWXWWVODTRT-UHNVWZDZSA-N
Compound name
(1S,3R)-3-hydroxycyclopentane-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.02565 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.03293 130.8
[M+Na]+ 191.01487 139.2
[M-H]- 167.01837 132.1
[M+NH4]+ 186.05947 152.9
[M+K]+ 206.98881 137.4
[M+H-H2O]+ 151.02291 126.1
[M+HCOO]- 213.02385 146.1
[M+CH3COO]- 227.03950 169.9
[M+Na-2H]- 189.00032 132.7
[M]+ 168.02510 129.2
[M]- 168.02620 129.2
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.