CID 122164168

1955548-44-3

Structural Information

Molecular Formula
C5H9ClO3S
SMILES
C1C[C@H]([C@@H](C1)S(=O)(=O)Cl)O
InChI
InChI=1S/C5H9ClO3S/c6-10(8,9)5-3-1-2-4(5)7/h4-5,7H,1-3H2/t4-,5-/m1/s1
InChIKey
KDTVEQALNVUIGU-RFZPGFLSSA-N
Compound name
(1R,2R)-2-hydroxycyclopentane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

183.9961 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.00338 135.4
[M+Na]+ 206.98532 144.5
[M-H]- 182.98882 138.2
[M+NH4]+ 202.02992 157.9
[M+K]+ 222.95926 141.2
[M+H-H2O]+ 166.99336 132.6
[M+HCOO]- 228.99430 147.2
[M+CH3COO]- 243.00995 171.1
[M+Na-2H]- 204.97077 137.4
[M]+ 183.99555 136.7
[M]- 183.99665 136.7
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

patents stripe