CID 178244290

4-(1,2-dihydroxyethyl)benzenesulfonyl chloride

Structural Information

Molecular Formula
C8H9ClO4S
SMILES
C1=CC(=CC=C1C(CO)O)S(=O)(=O)Cl
InChI
InChI=1S/C8H9ClO4S/c9-14(12,13)7-3-1-6(2-4-7)8(11)5-10/h1-4,8,10-11H,5H2
InChIKey
SQYJNBLLHDNGCQ-UHFFFAOYSA-N
Compound name
4-(1,2-dihydroxyethyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.99101 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.998286 143.4
[M+Na]+ 258.980228 152.2
[M-H]- 234.983734 145.1
[M+NH4]+ 254.024833 161.2
[M+K]+ 274.954168 147.6
[M+H-H2O]+ 218.988270 139.7
[M+HCOO]- 280.989211 154.2
[M+CH3COO]- 295.004861 179.7
[M+Na-2H]- 256.965676 146.8
[M]+ 235.99046142 146.9
[M]- 235.99155858 146.9
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.