CID 13741111

2-(4-chlorobenzenesulfonyl)ethan-1-ol

Structural Information

Molecular Formula
C8H9ClO3S
SMILES
C1=CC(=CC=C1S(=O)(=O)CCO)Cl
InChI
InChI=1S/C8H9ClO3S/c9-7-1-3-8(4-2-7)13(11,12)6-5-10/h1-4,10H,5-6H2
InChIKey
PERNWOCEJUZDKC-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)sulfonylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

219.9961 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.00338 140.9
[M+Na]+ 242.98532 150.6
[M-H]- 218.98882 144.0
[M+NH4]+ 238.02992 160.2
[M+K]+ 258.95926 145.9
[M+H-H2O]+ 202.99336 136.9
[M+HCOO]- 264.99430 154.0
[M+CH3COO]- 279.00995 179.3
[M+Na-2H]- 240.97077 145.5
[M]+ 219.99555 145.4
[M]- 219.99665 145.4
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